SCHEMBL1676258

SCHEMBL1676258

CS(=O)(=O)Nc1cccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3-c3ccc(C(=O)O)cc3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CRHBP P24387 1/20 0.38
RAB9A P51151 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSD17B3 P37058 1/20 0.38
TP53 P04637 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
BRD4 O60885 2/20 0.36
P2RX7 Q99572 1/20 0.36
MAPT P10636 1/20 0.36
KIF11 P52732 1/20 0.36
SRD5A2 P31213 1/20 0.35
CNR1 P21554 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
ADRB3 P13945 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL1676260 1.00 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676085 0.92 SMN1; SMN2 (0.37) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676083 0.92 SMN1; SMN2 (0.37) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676849 0.90 MAPT (0.40) SMN1; SMN2NPC1RAB9AHSD17B3TP53
SCHEMBL1676847 0.90 MAPT (0.40) SMN1; SMN2NPC1RAB9AHSD17B3TP53
SCHEMBL1676788 0.89 HSD17B1 (0.36) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676792 0.89 HSD17B1 (0.36) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676065 0.88 NR1H2 (0.44) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676067 0.88 NR1H2 (0.44) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL1482001 0.88 P2RX7 (0.39) 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 7 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
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
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 SMN1; SMN2 4417/4885KDM4E 733/4885NPC1 3228/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE SMN1; SMN2 4417/4885KDM4E 733/4885NPC1 3228/4885

“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.