SCHEMBL1676368

SCHEMBL1676368

O=C(O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3ccc(NS(=O)(=O)CC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ENPP2 Q13822 1/20 0.36
SRD5A2 P31213 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 3/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
PPARA Q07869 2/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PTGER4 P35408 2/20 0.33

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
SCHEMBL1676370 1.00 KDM4E (0.39) KDM4ERAB9ASMN1; SMN2NPC1CRHBP
SCHEMBL1676523 0.94 RAB9A (0.37) KDM4ERAB9ASMN1; SMN2NPC1CRHBP
SCHEMBL1676527 0.94 RAB9A (0.37) KDM4ERAB9ASMN1; SMN2NPC1CRHBP
SCHEMBL1676342 0.92 DRD2 (0.41) SMN1; SMN2PPARGHPGDPOLBPPARA
SCHEMBL1676344 0.92 DRD2 (0.41) SMN1; SMN2PPARGHPGDPOLBPPARA
SCHEMBL1676486 0.90 PPARG (0.38) PPARGPPARA
SCHEMBL1676482 0.89 SMN1; SMN2 (0.38) KDM4ERAB9ASMN1; SMN2NPC1CRHBP
SCHEMBL1676484 0.89 SMN1; SMN2 (0.38) KDM4ERAB9ASMN1; SMN2NPC1CRHBP
SCHEMBL1483160 0.89 KDM4E (0.42) KDM4ERAB9ASMN1; SMN2NPC1CRHBP
SCHEMBL1483163 0.89 KDM4E (0.42) KDM4ERAB9ASMN1; SMN2NPC1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE KDM4E 733/4885RAB9A 3396/4885SMN1; SMN2 4417/4885

“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.