SCHEMBL641306

SCHEMBL641306

O=C(Nc1ccccc1)c1cccc(NC2CCN(C(=O)c3ccccc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.57
CDK8 P49336 3/20 0.57
EPHX1 P07099 1/20 0.56
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
NAMPT P43490 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD11B1 P28845 2/20 0.49
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
HSD17B1 P14061 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL644335 0.89 PRMT5 (0.60) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL7288482 0.85 EPHX1 (0.69) EPHX1PTPN2PTPN1KMT2AMEN1
SCHEMBL14639703 0.85 PRMT5 (0.44) CCNCCDK8EPHX1HTTKDM4E
SCHEMBL7297189 0.84 EPHX1 (0.57) EPHX1HTTKDM4EKMT2ASMN1; SMN2
SCHEMBL7297976 0.78 EPHX1 (0.59) EPHX1PTPN2PTPN1KMT2AMEN1
SCHEMBL3093858 0.78 KDM4E (0.70) CCNCCDK8HTTKDM4EPOLB
SCHEMBL15277112 0.78 SMN1; SMN2 (0.63) CCNCCDK8HTTKDM4EPOLB
SCHEMBL29817990 0.77 NPC1 (0.57) HTTKDM4EPOLBKMT2AMEN1
SCHEMBL9613686 0.76 KDM1A (0.47) EPHX1KDM4EALDH1A1
SCHEMBL17875071 0.76 EPHX1 (0.78) EPHX1POLBPTPN2PTPN1KMT2A

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 10 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
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 CCNC 1453/4885CDK8 1362/4885EPHX1 1684/4885

“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.