SCHEMBL643527

SCHEMBL643527

Cc1ccc(N)c(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP3A4 P08684 2/20 0.46
HTR2A P28223 4/20 0.45
SLC6A4 P31645 4/20 0.45
KCNH2 Q12809 4/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 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
SCHEMBL10999189 0.89 TEAD4 (0.54) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL13970361 0.86 MAPT (0.71) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL29682000 0.85 MAPT (0.69) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL10622163 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2666174 0.81 MAPT (0.50) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL5583654 0.79 TEAD4 (0.57) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1298828 0.79 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6294696 0.78 AR (0.55) ALDH1A1CYP3A4SLC6A4GAATEAD4
SCHEMBL11522510 0.78 MAOA (0.61) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL17351273 0.77 MAPT (0.54) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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 (1 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 MAPT 4851/4885ALDH1A1 2109/4885SMN1; SMN2 3948/4885

“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.