SCHEMBL1676348

SCHEMBL1676348

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
NLRP3 Q96P20 2/20 0.48
CNR1 P21554 1/20 0.47
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
DRD2 P14416 1/20 0.46
TBXA2R P21731 1/20 0.46
CXCR2 P25025 1/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
PLA2G2A P14555 1/20 0.42
SNCA P37840 1/20 0.42

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
SCHEMBL1676555 0.91 DRD2 (0.47) NPC1RAB9ANLRP3CNR1DRD2
SCHEMBL1676020 0.91 NPC1 (0.56) NPC1RAB9ACNR1GABRA2GABRB2
SCHEMBL1481331 0.91 NPC1 (0.46) NPC1RAB9ANLRP3CNR1GABRA2
SCHEMBL1481936 0.91 DRD2 (0.46) NPC1RAB9ANLRP3CNR1DRD2
SCHEMBL1676403 0.91 GABRA2 (0.51) NPC1RAB9ANLRP3GABRA2GABRB2
SCHEMBL1676828 0.86 NPC1 (0.44) NPC1RAB9ACNR1DRD2TBXA2R
SCHEMBL1676397 0.86 DRD2 (0.44) NPC1RAB9ANLRP3DRD2TBXA2R
SCHEMBL1676515 0.85 NPC1 (0.48) NPC1RAB9ANLRP3CNR1GABRA2
SCHEMBL1679409 0.84 NPC1 (0.41) NPC1RAB9ANLRP3DRD2TBXA2R
SCHEMBL1481241 0.84 NPC1 (0.45) NPC1RAB9ANLRP3CNR1DRD2

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 NPC1 3228/4885RAB9A 3396/4885NLRP3 1196/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE NPC1 3228/4885RAB9A 3396/4885NLRP3 1196/4885

“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.