SCHEMBL5221775

SCHEMBL5221775

Nc1ccccc1C(=O)Nc1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.68
HTT P42858 1/20 0.65
FADS1 O60427 5/20 0.63
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
HPGD P15428 1/20 0.62
P2RX1 P51575 1/20 0.58
TSHR P16473 1/20 0.58
HDAC1 Q13547 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KCNK3 O14649 1/20 0.55
MAOB P27338 2/20 0.54

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
SCHEMBL31424183 1.00 PTGS1 (0.68) PTGS1HTTFADS1NPC1RAB9A
SCHEMBL17744881 0.89 FADS1 (0.72) PTGS1FADS1NPC1RAB9AP2RX1
SCHEMBL9810110 0.84 ALDH1A1 (0.72) PTGS1FADS1NPC1RAB9AP2RX1
SCHEMBL22820085 0.83 HTT (0.71) HTTNPC1RAB9AHPGDTSHR
SCHEMBL2700103 0.83 HTT (0.71) HTTNPC1RAB9AHPGDTSHR
SCHEMBL2699846 0.83 P2RX1 (0.68) HTTFADS1NPC1RAB9AHPGD
SCHEMBL5668126 0.83 FADS1 (0.65) PTGS1FADS1NPC1RAB9AP2RX1
SCHEMBL31424193 0.83 MEN1 (0.72) PTGS1FADS1NPC1RAB9AHPGD
SCHEMBL259352 0.83 MEN1 (0.72) PTGS1FADS1NPC1RAB9AHPGD
SCHEMBL8485797 0.83 FADS1 (0.65) PTGS1FADS1NPC1RAB9AP2RX1

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 PTGS1 1623/4885HTT 3857/4885FADS1 1832/4885

“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.