SCHEMBL1481241

SCHEMBL1481241

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2-c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
DRD2 P14416 1/20 0.41
TBXA2R P21731 1/20 0.41
USP7 Q93009 1/20 0.41
CNR1 P21554 5/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CNR2 P34972 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NLRP3 Q96P20 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPN P05981 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL1676450 0.85 NLRP3 (0.41) NPC1RAB9ADRD2TBXA2RCNR1
SCHEMBL1676555 0.85 DRD2 (0.47) NPC1RAB9ADRD2TBXA2RCNR1
SCHEMBL1481238 0.85 NPC1 (0.40) NPC1RAB9ADRD2TBXA2RCNR1
SCHEMBL1481936 0.84 DRD2 (0.46) NPC1RAB9ADRD2TBXA2RCNR1
SCHEMBL1676348 0.84 NPC1 (0.55) NPC1RAB9ADRD2TBXA2RCNR1
SCHEMBL1676403 0.84 GABRA2 (0.51) NPC1RAB9ADRD2TBXA2RPOLB
SCHEMBL1481092 0.82 NPC1 (0.42) NPC1RAB9ADRD2TBXA2RCNR1
SCHEMBL1481331 0.81 NPC1 (0.46) NPC1RAB9ADRD2TBXA2RCNR1
SCHEMBL1676397 0.80 DRD2 (0.44) NPC1RAB9ADRD2TBXA2RPOLB
SCHEMBL1676444 0.80 DRD2 (0.43) NPC1RAB9ADRD2TBXA2RCNR1

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 7 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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO 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 (4 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ NPC1 3792/4885RAB9A 3266/4885DRD2 4864/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE NPC1 3228/4885RAB9A 3396/4885DRD2 4873/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE NPC1 3228/4885RAB9A 3396/4885DRD2 4873/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ NPC1 3792/4885RAB9A 3266/4885DRD2 4864/4885

“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.