SCHEMBL5223315

SCHEMBL5223315

CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.73
NPC1 O15118 3/20 0.73
ALDH1A1 P00352 2/20 0.73
GLA P06280 2/20 0.73
ATM Q13315 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
NR1H4 Q96RI1 6/20 0.70
KCNK9 Q9NPC2 1/20 0.69
MAPT P10636 1/20 0.68
RECQL P46063 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
PPARG P37231 4/20 0.63
POLB P06746 2/20 0.61
HPGD P15428 1/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
DHPS P49366 1/20 0.58

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
SCHEMBL5224950 0.88 RAB9A (0.68) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL6105957 0.87 NR1H4 (0.78) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL5225162 0.86 NPC1 (0.69) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL7295495 0.86 POLB (0.72) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL7295433 0.86 RAB9A (0.69) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL12593904 0.86 NPC1 (0.68) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL9695830 0.85 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL5224891 0.85 RAB9A (0.59) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL7296052 0.85 MDM4 (0.70) RAB9ANPC1ALDH1A1GLAATM
SCHEMBL7297206 0.85 RAB9A (0.68) RAB9ANPC1ALDH1A1GLAATM

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 RAB9A 2658/4885NPC1 1618/4885ALDH1A1 835/4885

“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.