SCHEMBL1676632

SCHEMBL1676632

Oc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cn2Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
DPP4 P27487 1/20 0.42
KDR P35968 2/20 0.42
EGFR P00533 1/20 0.42
IGF1R P08069 1/20 0.42
FLT4 P35916 1/20 0.42
S1PR5 Q9H228 1/20 0.42
TEK Q02763 1/20 0.42
GRIN2B Q13224 3/20 0.41
CNR2 P34972 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
FNTA P49354 1/20 0.39
PGGT1B P53609 1/20 0.39
GRIN1 Q05586 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
SCHEMBL1676231 0.89 KDM4E (0.46) DPP4S1PR5GRIN2BCNR2MEN1
SCHEMBL1676145 0.88 GRIN2B (0.47) DPP4KDRTEKGRIN2BSMN1; SMN2
SCHEMBL1676444 0.86 DRD2 (0.43) DPP4S1PR5CNR2SMN1; SMN2MAPT
SCHEMBL1676381 0.86 PPARD (0.43) S1PR5GRIN2BHTTMAPTLMNA
SCHEMBL1676460 0.84 FFAR4 (0.41) KDREGFRIGF1RFLT4S1PR5
SCHEMBL1676439 0.84 GPR34 (0.41) DPP4KDREGFRIGF1RFLT4
SCHEMBL1481919 0.80 NPC1 (0.52) PTGS1PTGS2MEN1KMT2ASMN1; SMN2
SCHEMBL1676692 0.79 FNTA (0.40) DPP4KDREGFRS1PR5TEK
SCHEMBL1676694 0.79 FNTA (0.40) DPP4KDREGFRS1PR5TEK
SCHEMBL1676061 0.79 MEN1 (0.44) DPP4S1PR5MEN1KMT2ASMN1; SMN2

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 PTGS1 903/4885PTGS2 1321/4885DPP4 115/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE PTGS1 903/4885PTGS2 1321/4885DPP4 115/4885

“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.