SCHEMBL5222775

SCHEMBL5222775

Nc1cccc(C(=O)NC2CCN(c3ccncc3)CC2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
BMPR1B O00238 2/20 0.42
BMPR1A P36894 2/20 0.42
TGFBR1 P36897 2/20 0.42
ACVRL1 P37023 2/20 0.42
ACVR1 Q04771 2/20 0.42
F10 P00742 2/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
PAK1 Q13153 3/20 0.40
SMYD3 Q9H7B4 1/20 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
SCHEMBL5223909 0.83 F10 (0.48) HDAC3HDAC1F10
SCHEMBL5224555 0.78 MEN1 (0.41) MEN1KMT2AHDAC3HDAC1F10
SCHEMBL22688916 0.78 ALDH1A1 (0.54) MEN1KMT2ASMYD3P2RX7SMN1; SMN2
SCHEMBL27647724 0.78 ALDH1A1 (0.58) MEN1KMT2AP2RX7SMN1; SMN2
Benzene SCHEMBL27559018 0.76 KDM1A (0.53) CYP2C9CYP2C19ITGB3ITGA2BF10
SCHEMBL5224718 0.76 HDAC3 (0.42) HDAC3HDAC1ITGB3ITGA2BF10
Hydrochloric Acid SCHEMBL5225043 0.75 HDAC3 (0.41) HDAC3HDAC1ITGB3ITGA2BF10
SCHEMBL27557817 0.75 ITGB3 (0.51) CYP3A4CYP2C9ITGB3ITGA2BKDM1A
SCHEMBL7334224 0.74 DRD2 (0.49) CYP2C9ITGB3ITGA2BKDM1AMAOB
SCHEMBL5224617 0.73 TRPV1 (0.41) MEN1KMT2AHDAC3HDAC1F10

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 MEN1 1119/4885KMT2A 2083/4885HDAC3 156/4885

“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.