SCHEMBL5221896

SCHEMBL5221896

COC(=O)N(c1cccc(N)c1N)C1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
F10 P00742 11/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
F2 P00734 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL7366329 0.70 HIF1A (0.44) HIF1AF10HRH3CYP2C9TSHR
Hydrochloric Acid SCHEMBL5226696 0.70 F10 (0.35) HIF1AHDAC3HDAC1F10CYP3A4
SCHEMBL5222775 0.70 MEN1 (0.47) HDAC3HDAC1F10CYP2C9CYP3A4
SCHEMBL3967268 0.68 GPR119 (0.43) HIF1AF10HRH3
SCHEMBL5223909 0.67 F10 (0.48) HDAC3HDAC1F10
SCHEMBL5224718 0.67 HDAC3 (0.42) HDAC3HDAC1F10ITGB3ITGA2B
SCHEMBL5222501 0.67 HDAC3 (0.46) HDAC3HDAC1F10
SCHEMBL5759922 0.67 MAPT (0.62) HIF1AF10HRH3CYP2C9TSHR
Hydrochloric Acid SCHEMBL5225043 0.67 HDAC3 (0.41) HDAC3HDAC1F10ITGB3ITGA2B
SCHEMBL785159 0.66 F10 (0.51) HIF1AF10HRH3CYP2C9TSHR

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 HIF1A 1833/4885HDAC3 156/4885HDAC1 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.