SCHEMBL1676792

SCHEMBL1676792

O=C(O)c1ccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(NS(=O)(=O)CC(F)(F)F)c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
CRHBP P24387 1/20 0.35
RAB9A P51151 1/20 0.35
CRHR2 Q13324 1/20 0.35
MAPT P10636 2/20 0.35
SYK P43405 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
SRD5A2 P31213 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL1676788 1.00 HSD17B1 (0.36) HSD17B1HSD17B2SMN1; SMN2KDM4ENPC1
SCHEMBL1676482 0.94 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676484 0.94 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676523 0.90 RAB9A (0.37) HSD17B1HSD17B2SMN1; SMN2KDM4ENPC1
SCHEMBL1676527 0.90 RAB9A (0.37) HSD17B1HSD17B2SMN1; SMN2KDM4ENPC1
SCHEMBL1676260 0.89 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676258 0.89 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676085 0.88 SMN1; SMN2 (0.37) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676083 0.88 SMN1; SMN2 (0.37) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676140 0.84 KDM4E (0.42) SMN1; SMN2KDM4ENPC1CRHBPRAB9A

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 5 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 claimed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (2 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 HSD17B1 228/4885HSD17B2 319/4885SMN1; SMN2 4417/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE HSD17B1 228/4885HSD17B2 319/4885SMN1; 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.