SCHEMBL5224718

SCHEMBL5224718

Nc1cccc(C(=O)OCC2CCN(c3ccncc3)CC2)c1N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
F10 P00742 7/20 0.41
HTR4 Q13639 2/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
AOC3 Q16853 2/20 0.40
BDKRB1 P46663 2/20 0.40

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
Hydrochloric Acid SCHEMBL5225043 0.99 HDAC3 (0.41) HDAC3HDAC1F10HTR4ITGB3
SCHEMBL5222501 0.82 HDAC3 (0.46) HDAC3HDAC1F10
SCHEMBL5223909 0.80 F10 (0.48) HDAC3HDAC1F10
SCHEMBL6168131 0.78 F10 (0.48) F10ITGB3ITGA2BAOC3
SCHEMBL7406978 0.77 HDAC3 (0.55) HDAC3HDAC1
SCHEMBL5222775 0.76 MEN1 (0.47) HDAC3HDAC1F10ITGB3ITGA2B
SCHEMBL6168128 0.76 F10 (0.46) F10ITGB3ITGA2BAOC3
SCHEMBL5227734 0.74 F10 (0.40) HDAC3HDAC1F10AOC3
SCHEMBL5223035 0.74 F10 (0.43) HDAC3HDAC1F10AOC3BDKRB1
SCHEMBL5224739 0.74 F10 (0.42) HDAC3HDAC1F10BDKRB1

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 14 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
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 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-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO 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 (3 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 HDAC3 624/4885HDAC1 592/4885F10 15/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 HDAC3 156/4885HDAC1 61/4885F10 12/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 HDAC3 624/4885HDAC1 592/4885F10 15/4885

“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.