SCHEMBL5224838

SCHEMBL5224838

Nc1ccccc1C(=O)Nc1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
HTT P42858 2/20 0.62
KDM4E B2RXH2 2/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
FADS1 O60427 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.55
HDAC1 Q13547 3/20 0.54
HDAC3 O15379 1/20 0.54
MAPK1 P28482 1/20 0.54
HDAC2 Q92769 1/20 0.54
PTGS1 P23219 1/20 0.53
LMNA P02545 2/20 0.52

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
SCHEMBL31424196 1.00 RAB9A (0.62) RAB9ANPC1HTTKDM4ECASP3
SCHEMBL392793 0.89 NPC1 (0.70) RAB9ANPC1HTTKDM4ECASP3
Hydrochloric Acid SCHEMBL11743643 0.87 NPC1 (0.68) RAB9ANPC1HTTKDM4ECASP3
SCHEMBL11743614 0.87 NPC1 (0.72) RAB9ANPC1HTTKDM4ECASP3
SCHEMBL15463572 0.85 HTT (0.70) RAB9ANPC1HTTSMN1; SMN2MEN1
SCHEMBL27519709 0.84 NPC1 (0.56) RAB9ANPC1HTTKDM4ECASP3
SCHEMBL8399721 0.83 HDAC1 (0.69) RAB9ANPC1HTTKDM4ECASP3
SCHEMBL3158438 0.83 GAA (0.61) RAB9ANPC1HTTKDM4ECASP3
SCHEMBL2701324 0.82 HTT (0.76) RAB9ANPC1HTTKDM4EHSD17B10
SCHEMBL4511180 0.82 NPC1 (0.66) RAB9ANPC1HTTKDM4ECASP3

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 1618/4885HTT 3857/4885

“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.