SCHEMBL5225252

SCHEMBL5225252

CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccc(C#N)c3)c2N)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.63
RXFP1 Q9HBX9 2/20 0.51
HDAC1 Q13547 1/20 0.46
PPARG P37231 4/20 0.45
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
GRM5 P41594 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
KCNK3 O14649 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL7245531 0.85 NR1H4 (0.55) NR1H4RXFP1HDAC1KMT2ATP53
SCHEMBL5222477 0.82 NR1H4 (0.50) NR1H4PPARGTP53CA1CA2
SCHEMBL5223651 0.82 NR1H4 (0.56) NR1H4RXFP1HDAC1TP53GRM5
SCHEMBL6167952 0.80 DHPS (0.55) NR1H4HDAC1PPARG
SCHEMBL7252330 0.78 NR1H4 (0.48) NR1H4PPARGKMT2ACA1CA2
SCHEMBL6169820 0.78 NR1H4 (0.45) NR1H4PPARGKMT2ACA1CA2
SCHEMBL6542391 0.78 NR1H4 (1.00) NR1H4RXFP1PPARGTP53KCNK9
SCHEMBL6542774 0.77 NR1H4 (0.57) NR1H4RXFP1KMT2ATP53GRM5
SCHEMBL6542763 0.77 NR1H4 (0.57) NR1H4RXFP1KMT2ATP53GRM5
SCHEMBL6172468 0.76 DHPS (0.57) NR1H4HDAC1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 NR1H4 2304/4885RXFP1 447/4885HDAC1 61/4885

“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.