SCHEMBL1676768

SCHEMBL1676768

COC(=O)CNc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(Br)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
HPSE Q9Y251 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
DHODH Q02127 1/20 0.33
HDAC6 Q9UBN7 4/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1676765 1.00 DRD2 (0.36) DRD2POLBMAPTHPSECYP11B1
SCHEMBL1676943 0.91 DRD2 (0.46) DRD2POLBMAPTALPL
SCHEMBL1676944 0.91 DRD2 (0.46) DRD2POLBMAPTALPL
SCHEMBL1482079 0.90 DRD2 (0.38) DRD2POLBMAPTHPSECYP11B1
SCHEMBL1482075 0.90 DRD2 (0.38) DRD2POLBMAPTHPSECYP11B1
SCHEMBL1676893 0.88 CA12 (0.38) DRD2POLBMAPTALDH1A1MEN1
SCHEMBL1676890 0.88 CA12 (0.38) DRD2POLBMAPTALDH1A1MEN1
SCHEMBL1676533 0.88 CNR1 (0.38) DRD2
SCHEMBL1676529 0.88 CNR1 (0.38) DRD2
SCHEMBL1676946 0.87 P2RX3 (0.34) DRD2POLBMAPTALDH1A1MEN1

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 DRD2 4873/4885POLB 4497/4885MAPT 3251/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE DRD2 4873/4885POLB 4497/4885MAPT 3251/4885

“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.