SCHEMBL1676893

SCHEMBL1676893

CCn1cc(-c2ccc(Cl)cc2Cl)nc1C=Cc1ccc(NCC(=O)OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PTGS2 P35354 1/20 0.36
ALPL P05186 4/20 0.36
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
DRD2 P14416 1/20 0.33
CNR1 P21554 1/20 0.33
LMNA P02545 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
SCHEMBL1676890 1.00 CA12 (0.38) CA12CA2CA9POLBMAPT
SCHEMBL1676768 0.88 DRD2 (0.36) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL1676765 0.88 DRD2 (0.36) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL1676944 0.87 DRD2 (0.46) POLBMAPTALPLDRD2
SCHEMBL1676943 0.87 DRD2 (0.46) POLBMAPTALPLDRD2
SCHEMBL1676529 0.86 CNR1 (0.38) DRD2CNR1
SCHEMBL1676533 0.86 CNR1 (0.38) DRD2CNR1
SCHEMBL1676645 0.84 CNR1 (0.37) MAPTMEN1KMT2APTGS2CNR1
SCHEMBL1676644 0.84 CNR1 (0.37) MAPTMEN1KMT2APTGS2CNR1
SCHEMBL1676946 0.83 P2RX3 (0.34) POLBMAPTMEN1KMT2AALDH1A1

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 CA12 782/4885CA2 165/4885CA9 169/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE CA12 782/4885CA2 165/4885CA9 169/4885

“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.