SCHEMBL398871

SCHEMBL398871

Nc1nc(=O)c2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.51
GABRA1 P14867 1/20 0.51
ALDH1A1 P00352 8/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 5/20 0.50
NPSR1 Q6W5P4 5/20 0.50
LMNA P02545 3/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KDM4E B2RXH2 3/20 0.46
RXFP1 Q9HBX9 3/20 0.46
GPR3 P46089 1/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL14907205 0.76 ALDH1A1 (0.54) MIFGABRA1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10720045 0.76 ALDH1A1 (0.54) MIFGABRA1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6120718 0.73 MIF (0.49) MIFGABRA1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13186559 0.73 MIF (0.61) MIFGABRA1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12341036 0.72 MIF (0.47) MIFGABRA1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13482509 0.72 MIF (0.47) MIFGABRA1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12343965 0.72 NPC1 (0.55) MIFGABRA1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL397884 0.71 ALDH1A1 (0.65) MIFGABRA1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6717566 0.71 NPC1 (0.64) MIFGABRA1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL25007628 0.71 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA

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 171 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-20190192473-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Rosacea AmDerma Pharmaceuticals, LLC 2019-06-27 US 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-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
EP-2640712-B1 2-PIPERAZIN-1-YL-4H-1,3-BENZOTHIAZIN-4-ONE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF MAMMALIAN INFECTIONS ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2018-07-11 EP 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
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
WO-2005023183-A2 NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-17 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 (7 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 MIF 4233/4885GABRA1 1999/4885ALDH1A1 15/4885
US-10278940-B2 Use of 2,5-dihydroxybenzene compounds and derivatives for the treatment of skin cancer CYP8B1, CYP26B1, CYP24A1 MIF 3501/4885GABRA1 2880/4885ALDH1A1 101/4885
US-20170231932-A1 METHODS OF USE FOR 2,5-DIHYDROXYBENZENE SULFONIC ACID COMPOUNDS FOR THE TREATMENT OF CANCER, ROSACEA AND PSORIASIS IL2, IL2RA, IL5 MIF 2791/4885GABRA1 2515/4885ALDH1A1 843/4885
US-20190192474-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Skin Cancer CYP8B1, CYP26B1, CYP24A1 MIF 3501/4885GABRA1 2880/4885ALDH1A1 101/4885
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use REN, NOS1, NOS3 MIF 1048/4885GABRA1 3768/4885ALDH1A1 396/4885
US-20180028484-A1 Use Of 2,5-Dihydroxybenzene Compounds And Derivatives For The Treatment Of Rosacea CYP8B1, CYP1B1, CYP26B1 MIF 4233/4885GABRA1 1999/4885ALDH1A1 15/4885
US-10278941-B2 Use of 2,5-dihydroxybenzene compounds and derivatives for the treatment of glioma ALDH1A2, IDH3A, IDH3B MIF 3090/4885GABRA1 1191/4885ALDH1A1 7/4885

“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.