SCHEMBL1676100

SCHEMBL1676100

O=C(O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2CCc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
S1PR5 Q9H228 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
DPP4 P27487 1/20 0.40
SLC13A5 Q86YT5 1/20 0.40
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
P2RY14 Q15391 1/20 0.38
SRD5A2 P31213 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL1676063 0.95 KDM4E (0.42) MEN1KMT2AKDM4ES1PR5ALDH1A1
SCHEMBL1481624 0.93 MEN1 (0.44) MEN1KMT2AKDM4ES1PR5ALDH1A1
SCHEMBL1481138 0.92 RAB9A (0.46) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL1676231 0.89 KDM4E (0.46) MEN1KMT2AKDM4ES1PR5ALDH1A1
SCHEMBL1676229 0.89 NR4A2 (0.46) MEN1KMT2AKDM4ES1PR5ALDH1A1
SCHEMBL1676061 0.88 MEN1 (0.44) MEN1KMT2AKDM4ES1PR5ALDH1A1
SCHEMBL1481307 0.87 MEN1 (0.44) MEN1KMT2AKDM4ES1PR5ALDH1A1
SCHEMBL1676764 0.86 SMN1; SMN2 (0.40) S1PR5SMN1; SMN2
SCHEMBL1676162 0.85 CFTR (0.46) MEN1KMT2AKDM4ES1PR5ALDH1A1
SCHEMBL1676562 0.85 MEN1 (0.42) MEN1KMT2AKDM4ES1PR5ALDH1A1

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 6 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
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 MEN1 2851/4885KMT2A 2145/4885KDM4E 733/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MEN1 2851/4885KMT2A 2145/4885KDM4E 733/4885

“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.