SCHEMBL7089362

SCHEMBL7089362

COc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cc(C)cs2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.39
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
PPARG P37231 2/20 0.36
NCOA2 Q15596 2/20 0.36
NCOA1 Q15788 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 4/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
NPC1 O15118 3/20 0.36

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
SCHEMBL7090773 0.82 BRAF (0.48) TGFBR1MEN1KMT2AKDM4EMAPT
SCHEMBL7089357 0.78 ESR1 (0.43) TGFBR1KDM4EMAPTESR1ESR2
SCHEMBL5698594 0.74 PTGS2 (0.52) PTGS1PTGS2
SCHEMBL7088589 0.70 PTGS2 (0.43) TGFBR1ALDH1A1SMN1; SMN2ESR1ESR2
SCHEMBL7089184 0.70 ALOX5 (0.41) TGFBR1LMNAESR1ESR2PTGS1
SCHEMBL7089338 0.67 ESR1 (0.43) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8146579 0.67 ALDH1A1 (0.43) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7089424 0.66 MAPK14 (0.46) TGFBR1MEN1KMT2AKDM4EMAPT
SCHEMBL11370165 0.66 PDGFRB (0.46) KDM4EMAPTRAB9APDGFRBPDGFRA
SCHEMBL7085129 0.65 PTGS2 (0.55) PTGS1PTGS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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 (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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 TGFBR1 1249/4885MEN1 4791/4885KMT2A 2522/4885

“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.