SCHEMBL641107

SCHEMBL641107

Nc1cnccc1Oc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 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
ALDH1A1 P00352 1/20 0.56
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PTGS1 P23219 4/20 0.49
PTGS2 P35354 4/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PIM1 P11309 1/20 0.47
MAP2K2 P36507 1/20 0.47
CDK8 P49336 1/20 0.47
MAP4K2 Q12851 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL4370948 0.86 PTGS1 (0.52) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL9853825 0.81 CYP1A2 (0.49) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL30309931 0.81 CYP1A2 (0.49) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL11545424 0.79 PTGS1 (0.56) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL9339331 0.79 PTGS1 (0.60) MAPTPTGS1PTGS2PIM1MAP2K2
SCHEMBL16295874 0.78 SLC6A2 (0.58) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL16294656 0.78 GPBAR1 (0.48) CYP1A2CYP2C9CYP2C19GAALMNA
SCHEMBL15779486 0.76 LMNA (0.53) ALDH1A1SMN1; SMN2LTA4HLMNAHTT
SCHEMBL618478 0.76 MAPT (0.53) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL9339328 0.75 PTGS1 (0.52) MAPTCYP1A2CYP2C9CYP2C19KDM4E

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-2005037839-A1 NORCANTHARIDIN DERIVATIVE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF ENTOMED (FR) 2005-04-28 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.