SCHEMBL5225093

SCHEMBL5225093

COc1ccc(C(=O)c2cccc(N)c2NC(=O)C2CCN(Cc3ccc(C#N)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.50
TSHR P16473 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PRKAB2 O43741 5/20 0.48
PRKAG1 P54619 5/20 0.48
PRKAA2 P54646 5/20 0.48
PRKAA1 Q13131 5/20 0.48
PRKAG3 Q9UGI9 5/20 0.48
PRKAG2 Q9UGJ0 5/20 0.48
PRKAB1 Q9Y478 5/20 0.48
KCNH2 Q12809 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 5/20 0.47
CYP2D6 P10635 1/20 0.47
ACKR3 P25106 3/20 0.46
ACHE P22303 1/20 0.46
LTA4H P09960 1/20 0.45

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
SCHEMBL7243422 0.90 ACKR3 (0.49) CYP2C9PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5223734 0.90 CHRM4 (0.51) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7246833 0.89 ACKR3 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7251452 0.88 RAB9A (0.53) SMN1; SMN2MEN1KMT2AACKR3LTA4H
SCHEMBL5226525 0.88 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5224692 0.87 CYP3A4 (0.48) TSHRCYP2C9PRKAB2PRKAG1PRKAA2
SCHEMBL7243729 0.86 ALDH1A1 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5223663 0.85 ACKR3 (0.51) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7249950 0.84 ACKR3 (0.45) CYP2C9PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7251743 0.84 KMT2A (0.52) MEN1KMT2AACKR3ACHEALDH1A1

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 USP2 4001/4885TSHR 2545/4885CYP2C9 254/4885

“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.