SCHEMBL7087779

SCHEMBL7087779

Cc1csc(-c2cccc(C(=O)C(O)c3ccc(N(C)C)cc3)c2-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32

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
SCHEMBL7089475 0.88 AKR1C3 (0.33) TSHRL3MBTL1MAPTMEN1KMT2A
SCHEMBL7091319 0.86 TTR (0.34) KDM4EL3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL7133865 0.82 RAB9A (0.46) ALDH1A1KDM4EL3MBTL1MAPTMEN1
SCHEMBL7085135 0.82 TNF (0.39) ALDH1A1KDM4ETSHRMAPTTDP1
SCHEMBL7090550 0.82 AKR1C3 (0.37) ALDH1A1KDM4EMAPTTDP1GAA
SCHEMBL7090216 0.81 CTSA (0.36) MEN1KMT2ACNR2
SCHEMBL7089313 0.77 RXFP1 (0.33) ALDH1A1KDM4EKEAP1NFE2L2MEN1
SCHEMBL7090554 0.72 NPSR1 (0.37) ALDH1A1KDM4EL3MBTL1MAPTMEN1
SCHEMBL8801412 0.69 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRL3MBTL1MAPT
SCHEMBL17685074 0.68 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRHSD17B10MAPT

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-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
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 ALDH1A1 112/4885KDM4E 2217/4885TSHR 2435/4885

“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.