SCHEMBL1676217

SCHEMBL1676217

CCn1cc(-c2ccc(F)cc2F)nc1C=Cc1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.36
TLR8 Q9NR97 1/20 0.35
RAB9A P51151 3/20 0.34
NFE2L2 Q16236 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 2/20 0.34
MDM2 Q00987 1/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 2/20 0.33
PDE10A Q9Y233 1/20 0.33
MAOB P27338 1/20 0.33
ADORA2A P29274 1/20 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
SCHEMBL1676213 1.00 F2RL3 (0.36) F2RL3TLR8RAB9ANFE2L2KDM4E
SCHEMBL1676473 0.86 MEN1 (0.36) F2RL3TLR8TP53MDM2
SCHEMBL1676475 0.86 MEN1 (0.36) F2RL3TLR8TP53MDM2
SCHEMBL1676437 0.84 NFE2L2 (0.44) F2RL3RAB9ANFE2L2KDM4EALDH1A1
SCHEMBL1676435 0.84 NFE2L2 (0.44) F2RL3RAB9ANFE2L2KDM4EALDH1A1
SCHEMBL1480335 0.80 LMNA (0.40) KDM4EMAOAMAPT
SCHEMBL1480339 0.80 LMNA (0.40) KDM4EMAOAMAPT
SCHEMBL1481693 0.79 DRD2 (0.43) ALDH1A1TP53HDAC1HDAC2HDAC11
SCHEMBL1481689 0.79 DRD2 (0.43) ALDH1A1TP53HDAC1HDAC2HDAC11
SCHEMBL1482178 0.77 TLR8 (0.45) TLR8RAB9AKDM4EALDH1A1HPGD

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 4 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
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 F2RL3 3239/4885TLR8 2643/4885RAB9A 3396/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE F2RL3 3239/4885TLR8 2643/4885RAB9A 3396/4885

“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.