SCHEMBL641262

SCHEMBL641262

Nc1cc(F)ccc1Oc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
KDM4E B2RXH2 1/20 0.71
MEN1 O00255 1/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP2D6 P10635 1/20 0.71
HPGD P15428 1/20 0.71
KMT2A Q03164 1/20 0.71
CYP3A4 P08684 1/20 0.59
HTR2A P28223 2/20 0.55
SLC6A4 P31645 2/20 0.55
KCNH2 Q12809 2/20 0.55
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CACNA1C Q13936 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
SCHEMBL1339195 0.89 MAPT (0.53) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL32674568 0.85 MAPT (0.96) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7140487 0.85 MAPT (0.96) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL11515445 0.83 MAPT (1.00) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1340975 0.82 CACNA1C (0.50) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1341568 0.82 L3MBTL1 (0.64) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3041614 0.82 MAPT (0.52) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL18646614 0.81 HSPB1 (0.58) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11523227 0.81 MAPT (0.76) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1639869 0.81 CYP1A2 (0.62) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2

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 4851/4885CYP1A2 221/4885CYP2C9 143/4885

“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.