SCHEMBL1676444

SCHEMBL1676444

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
TBXA2R P21731 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
S1PR5 Q9H228 1/20 0.41
MAPK14 Q16539 1/20 0.41
AURKA O14965 1/20 0.40
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
DPP4 P27487 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
SIRT5 Q9NXA8 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NLRP3 Q96P20 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1480956 0.91 DRD2 (0.42) DRD2TBXA2RSMN1; SMN2S1PR5MAPK14
SCHEMBL1676231 0.90 KDM4E (0.46) SMN1; SMN2S1PR5CNR2DPP4POLB
SCHEMBL1481344 0.89 DRD2 (0.44) DRD2TBXA2RSMN1; SMN2S1PR5MAPK14
SCHEMBL1481346 0.89 DRD2 (0.44) DRD2TBXA2RSMN1; SMN2S1PR5MAPK14
SCHEMBL1676224 0.89 DRD2 (0.45) DRD2TBXA2RSMN1; SMN2AURKAPLG
SCHEMBL1676242 0.88 SMN1; SMN2 (0.40) DRD2TBXA2RSMN1; SMN2S1PR5MAPK14
SCHEMBL1676764 0.88 SMN1; SMN2 (0.40) SMN1; SMN2S1PR5
SCHEMBL1676397 0.88 DRD2 (0.44) DRD2TBXA2RPOLBMAPTNPC1
SCHEMBL1676439 0.88 GPR34 (0.41) S1PR5CNR2CNR1DPP4MAPT
SCHEMBL1676145 0.88 GRIN2B (0.47) SMN1; SMN2DPP4MAPTNPC1RAB9A

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 4873/4885TBXA2R 1613/4885SMN1; SMN2 4417/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE DRD2 4873/4885TBXA2R 1613/4885SMN1; SMN2 4417/4885

“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.