SCHEMBL1676690

SCHEMBL1676690

COC(=O)c1cccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(OC(F)(F)F)cc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
PLAU P00749 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PDK2 Q15119 1/20 0.37
P2RX3 P56373 1/20 0.37
MARS1 P56192 1/20 0.37
SERPINE1 P05121 3/20 0.36
IDH1 O75874 1/20 0.36
MGLL Q99685 1/20 0.36
DHFR P00374 1/20 0.36
P2RY14 Q15391 1/20 0.35
GCGR P47871 2/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL1676687 1.00 DRD2 (0.41) DRD2PLAUMRGPRX4POLBMAPT
SCHEMBL1481757 0.93 DRD2 (0.45) DRD2POLBMAPTMARS1GCGR
SCHEMBL1481756 0.93 DRD2 (0.45) DRD2POLBMAPTMARS1GCGR
SCHEMBL1481857 0.93 DRD2 (0.44) DRD2PLAUPOLBMAPTP2RX3
SCHEMBL1481858 0.93 DRD2 (0.44) DRD2PLAUPOLBMAPTP2RX3
SCHEMBL1676387 0.93 MARS1 (0.41) MRGPRX4POLBMARS1SERPINE1GCGR
SCHEMBL1676390 0.93 MARS1 (0.41) MRGPRX4POLBMARS1SERPINE1GCGR
SCHEMBL1482394 0.92 DRD2 (0.48) DRD2PLAUPOLBMAPTMGLL
SCHEMBL1482391 0.92 DRD2 (0.48) DRD2PLAUPOLBMAPTMGLL
SCHEMBL1481631 0.88 DRD2 (0.46) DRD2PLAUPOLBMAPTMARS1

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 4873/4885PLAU 3307/4885MRGPRX4 2913/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE DRD2 4873/4885PLAU 3307/4885MRGPRX4 2913/4885

“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.