SCHEMBL1676229

SCHEMBL1676229

O=C(O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2COc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.46
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
S1PR5 Q9H228 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR34 Q9UPC5 1/20 0.41
FFAR1 O14842 1/20 0.41
NPC1 O15118 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDGFRA P16234 1/20 0.41
S1PR1 P21453 1/20 0.41
EGLN1 Q9GZT9 3/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL1676531 0.93 PTGES (0.45) NR4A2PTGESALOX5KDM4ENPC1
SCHEMBL1676974 0.91 PTGES (0.43) NR4A2PTGESALOX5KDM4ENPC1
SCHEMBL1676042 0.90 EGLN1 (0.42) NR4A2KDM4ENPC1CRHBPRAB9A
SCHEMBL1481624 0.90 MEN1 (0.44) PTGESALOX5S1PR5KDM4EMEN1
SCHEMBL1676100 0.89 MEN1 (0.44) PTGESALOX5S1PR5KDM4EMEN1
SCHEMBL1676161 0.88 MARS1 (0.45) NR4A2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676063 0.88 KDM4E (0.42) PTGESALOX5S1PR5KDM4EMEN1
SCHEMBL1676231 0.86 KDM4E (0.46) PTGESALOX5S1PR5KDM4EMEN1
SCHEMBL1676222 0.85 BCL2L1 (0.42) NR4A2KDM4EFFAR1NPC1CRHBP
SCHEMBL1676210 0.85 NPC1 (0.46) NR4A2KDM4EMEN1KMT2ANPC1

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 3 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 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 (1 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 NR4A2 3227/4885PTGES 1938/4885ALOX5 1066/4885

“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.