SCHEMBL397884

SCHEMBL397884

N=C(N)Nc1nc(=O)c2ccccc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
CASP3 P42574 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
NPSR1 Q6W5P4 5/20 0.60
RXFP1 Q9HBX9 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALOX12 P18054 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 7/20 0.59
MAPT P10636 5/20 0.59
KMT2A Q03164 5/20 0.59
KDM4E B2RXH2 4/20 0.59
POLB P06746 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
KCNH2 Q12809 1/20 0.59
LMNA P02545 3/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29728428 0.79 MAPT (0.71) ALDH1A1CASP3SENP7SENP6NPSR1
SCHEMBL852198 0.79 MAPT (0.71) ALDH1A1CASP3SENP7SENP6NPSR1
SCHEMBL29598540 0.78 SMN1; SMN2 (0.63) ALDH1A1CASP3SENP7SENP6NPSR1
SCHEMBL13158927 0.78 SMN1; SMN2 (0.63) ALDH1A1CASP3SENP7SENP6NPSR1
SCHEMBL398871 0.71 MIF (0.51) ALDH1A1CASP3SENP7SENP6NPSR1
SCHEMBL6717566 0.69 NPC1 (0.64) ALDH1A1CASP3SENP7SENP6NPSR1
SCHEMBL14907205 0.67 ALDH1A1 (0.54) ALDH1A1CASP3SENP7SENP6NPSR1
SCHEMBL10720045 0.67 ALDH1A1 (0.54) ALDH1A1CASP3SENP7SENP6NPSR1
SCHEMBL7146818 0.66 ADORA3 (0.56) ALDH1A1NPSR1RXFP1CYP1A2CYP2C9
SCHEMBL7142125 0.66 XIAP (0.47) ALDH1A1CASP3SENP7SENP6CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 156 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020193802-A1 POLYMERIC CONJUGATES AND USES THEREOF FUNDACIÓN DE LA COMUNIDAD VALENCIANA CENTRO DE INVESTIGACIÓN PRÍNCIPE FELIPE (ES) 2020-10-01 WO disclosed
US-20190192474-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Skin Cancer AmDerma Pharmaceuticals, LLC 2019-06-27 US disclosed
US-20190192473-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Rosacea AmDerma Pharmaceuticals, LLC 2019-06-27 US disclosed
US-10278940-B2 Use of 2,5-dihydroxybenzene compounds and derivatives for the treatment of skin cancer AmDerma Pharmaceuticals, LLC (US) 2019-05-07 US disclosed
US-10278941-B2 Use of 2,5-dihydroxybenzene compounds and derivatives for the treatment of glioma AmDerma Pharmaceuticals, LLC (US) 2019-05-07 US disclosed
US-20180028484-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Rosacea AmDerma Pharmaceuticals, LLC 2018-02-01 US disclosed
US-20170231932-A1 METHODS OF USE FOR 2,5-DIHYDROXYBENZENE SULFONIC ACID COMPOUNDS FOR THE TREATMENT OF CANCER, ROSACEA AND PSORIASIS AmDerma Pharmaceuticals, LLC 2017-08-17 US disclosed
US-9610256-B2 Methods of use for 2,5-dihydroxybenzene sulfonic acid compounds for the treatment of cancer AmDerma Pharmaceuticals, LLC (US) 2017-04-04 US disclosed
US-9592216-B2 Use of 2,5-dihydroxybenzene compounds and derivatives for the treatment of rosacea AmDerma Pharmaceuticals, LLC (US) 2017-03-14 US disclosed
US-20170065547-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Skin Cancer ACTION MEDICINES, S.L. (ES) 2017-03-09 US disclosed
WO-2006055542-A2 DIURETIC COMPOUNDS COMPRISING HETEROCYCLIC NITRIC OXIDE DONOR GROUPS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-05-26 WO disclosed
WO-2006052899-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISORDERS NITROMED, INC. (US) 2006-05-18 WO disclosed
WO-2006041855-A2 COMPOSITIONS AND METHODS USING APOCYNIN COMPOUNDS AND NITRIC OXIDE DONORS NITROMED, INC. (US) 2006-04-20 WO disclosed
WO-2005107384-A2 METHODS FOR TREATING BLOOD DISORDERS WITH NITRIC OXIDE DONOR COMPOUNDS NITROMED, INC. (US) 2005-11-17 WO disclosed
WO-2005070006-A2 NITROSATED AND/OR NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-08-04 WO disclosed
WO-2005060603-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-07-07 WO disclosed
WO-2005030135-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-04-07 WO disclosed
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use NITROMED, INC. (US) 2005-03-17 US disclosed
WO-2005023182-A2 NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-17 WO disclosed
WO-2005018561-A2 NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190192473-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Rosacea CYP8B1, CYP1B1, CYP26B1 ALDH1A1 15/4885CASP3 1230/4885SENP7 3820/4885
US-10278940-B2 Use of 2,5-dihydroxybenzene compounds and derivatives for the treatment of skin cancer CYP8B1, CYP26B1, CYP24A1 ALDH1A1 101/4885CASP3 430/4885SENP7 3182/4885
US-20170231932-A1 METHODS OF USE FOR 2,5-DIHYDROXYBENZENE SULFONIC ACID COMPOUNDS FOR THE TREATMENT OF CANCER, ROSACEA AND PSORIASIS IL2, IL2RA, IL5 ALDH1A1 843/4885CASP3 3112/4885SENP7 4793/4885
US-20170065547-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Skin Cancer CYP8B1, CYP26B1, CYP24A1 ALDH1A1 101/4885CASP3 430/4885SENP7 3182/4885
US-20190192474-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Skin Cancer CYP8B1, CYP26B1, CYP24A1 ALDH1A1 101/4885CASP3 430/4885SENP7 3182/4885
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use REN, NOS1, NOS3 ALDH1A1 396/4885CASP3 921/4885SENP7 3362/4885
US-20180028484-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Rosacea CYP8B1, CYP1B1, CYP26B1 ALDH1A1 15/4885CASP3 1230/4885SENP7 3820/4885
US-10278941-B2 Use of 2,5-dihydroxybenzene compounds and derivatives for the treatment of glioma ALDH1A2, IDH3A, IDH3B ALDH1A1 7/4885CASP3 508/4885SENP7 3758/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.