SCHEMBL4100589

SCHEMBL4100589

Cc1ccc(NC(=O)C(O)(O)C(O)(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 2/20 0.52
EGFR P00533 1/20 0.48
HPSE Q9Y251 1/20 0.47
THRB P10828 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
KDR P35968 2/20 0.43
PLAU P00749 1/20 0.43
BAZ1A Q9NRL2 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
FABP6 P51161 2/20 0.42
ABL1 P00519 1/20 0.42
TEK Q02763 1/20 0.42

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
SCHEMBL4121901 0.89 ABL1 (0.52) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL4106931 0.88 MAPT (0.49) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL4113425 0.88 HTR3E (0.54) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL4117739 0.87 MAPT (0.49) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL4101960 0.84 ALDH1A1 (0.60) MAPTSMN1; SMN2TP53ALDH1A1MMP2
SCHEMBL4113010 0.83 EGFR (0.48) MAPTSMN1; SMN2TP53EGFRHPSE
SCHEMBL4105726 0.83 GRIN1 (0.53) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL4113434 0.81 CYP2D6 (0.52) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL4107102 0.81 MAPT (0.47) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL10967002 0.79 ALDH1A1 (0.61) MAPTSMN1; SMN2TP53THRBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263621-B2 Tartrate derivatives for use as coagulation factor IXa inhibitors SANOFI (FR) 2012-09-11 US disclosed
US-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US 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-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, TFPI2, F9 MAPT 2888/4885SMN1; SMN2 4671/4885TP53 3679/4885

“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.