SCHEMBL655278

SCHEMBL655278

COCc1cc(=O)oc2cc(N)ccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 4/20 0.71
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 5/20 0.58
GAA P10253 4/20 0.58
HPGD P15428 3/20 0.58
GLA P06280 2/20 0.58
CASP1 P29466 2/20 0.58
CASP7 P55210 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA9 Q16790 1/20 0.58
KCNA2 P16389 1/20 0.53
KCNA1 Q09470 1/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.50
SRC P12931 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL4696344 0.86 HSD17B3 (0.54) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL5138290 0.84 HSD17B3 (0.66) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL5138108 0.83 HSD17B3 (1.00) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL13480888 0.83 HSD17B3 (0.73) HSD17B3KDM4EALDH1A1KCNA2KCNA1
SCHEMBL17299899 0.82 CYP2D6 (0.72) HSD17B3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7037768 0.81 HSD17B3 (0.51) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL12305000 0.81 HSD17B3 (0.69) HSD17B3KDM4EALDH1A1GAAHPGD
Hydrogen Sulfide SCHEMBL27992899 0.81 CYP2D6 (0.70) HSD17B3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7919717 0.80 KDM4E (0.74) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL8594115 0.80 HSD17B3 (0.68) HSD17B3KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574280-B Double-enzyme system probe and application thereof 北京大学第一医院 2022-05-17 CN claimed
CN-112574280-A Double-enzyme system probe and application thereof 北京大学第一医院 2021-03-30 CN claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
CN-112574280-B Double-enzyme system probe and application thereof 北京大学第一医院 2022-05-17 CN disclosed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
CN-112574280-A Double-enzyme system probe and application thereof 北京大学第一医院 2021-03-30 CN disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-5696133-A ADMINISTERING COMPOUND WHICH MODULATES ACTIVITY OF PROGESTERONE RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5688808-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 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 (5 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-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A HSD17B3 4741/4885KDM4E 2840/4885ALDH1A1 2891/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A HSD17B3 4741/4885KDM4E 2840/4885ALDH1A1 2891/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A HSD17B3 4741/4885KDM4E 2840/4885ALDH1A1 2891/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A HSD17B3 4741/4885KDM4E 2840/4885ALDH1A1 2891/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A HSD17B3 4741/4885KDM4E 2840/4885ALDH1A1 2891/4885

“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.