SCHEMBL7091527

SCHEMBL7091527

COc1c(C)cc(C(=O)C(=O)c2cccc(-c3cc(C)cs3)c2-c2ccccc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.36
TUBB4A P04350 5/20 0.35
TUBB P07437 5/20 0.35
TUBA3C P0DPH7 5/20 0.35
TUBA1B P68363 5/20 0.35
TUBA4A P68366 5/20 0.35
TUBB4B P68371 5/20 0.35
TUBB3 Q13509 5/20 0.35
TUBB2A Q13885 5/20 0.35
TUBB8 Q3ZCM7 5/20 0.35
TUBA3E Q6PEY2 5/20 0.35
TUBA1A Q71U36 5/20 0.35
TUBA1C Q9BQE3 5/20 0.35
TUBB6 Q9BUF5 5/20 0.35
TUBB2B Q9BVA1 5/20 0.35
TUBB1 Q9H4B7 5/20 0.35
HTT P42858 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL7089403 0.88 ADORA3 (0.45) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7090554 0.87 NPSR1 (0.37) HTTCNR1CNR2MEN1KMT2A
SCHEMBL7085577 0.84 CES2 (0.49) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7090216 0.83 CTSA (0.36) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7133865 0.80 RAB9A (0.46) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7087485 0.77 PTGS2 (0.47)
SCHEMBL7090550 0.73 AKR1C3 (0.37) TNFRSF1AHTTCTSAADORA3KDM4E
SCHEMBL7085135 0.72 TNF (0.39) TNFRSF1AHTTKDM4EALDH1A1HPGD
SCHEMBL7091319 0.71 TTR (0.34) CTSAKDM4E
SCHEMBL7089475 0.69 AKR1C3 (0.33) HTTMEN1KMT2AHPGD

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
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP 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
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 TNFRSF1A 2663/4885TUBB4A 3197/4885TUBB 3235/4885

“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.