SCHEMBL4121901

SCHEMBL4121901

Nc1nc2ccc(NC(=O)C(O)(O)C(O)(O)C(=O)Nc3ccccc3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.52
FABP6 P51161 1/20 0.52
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 3/20 0.50
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NR2E3 Q9Y5X4 2/20 0.44
PLAU P00749 1/20 0.44
KDR P35968 2/20 0.44
MAPK1 P28482 1/20 0.44
CHEK2 O96017 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 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
SCHEMBL4105726 0.91 GRIN1 (0.53) ABL1FABP6MAPTSMN1; SMN2TP53
SCHEMBL4100589 0.89 MAPT (0.52) ABL1FABP6MAPTSMN1; SMN2TP53
SCHEMBL4106931 0.89 MAPT (0.49) ABL1FABP6MAPTSMN1; SMN2TP53
SCHEMBL4113425 0.89 HTR3E (0.54) ABL1FABP6MAPTSMN1; SMN2TP53
SCHEMBL4117739 0.86 MAPT (0.49) ABL1FABP6MAPTSMN1; SMN2TP53
SCHEMBL4101960 0.85 ALDH1A1 (0.60) MAPTSMN1; SMN2TP53ALDH1A1POLB
SCHEMBL4100714 0.82 ABL1 (0.52) ABL1FABP6MAPTSMN1; SMN2TP53
SCHEMBL4113434 0.82 CYP2D6 (0.52) MAPTSMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL4107102 0.82 MAPT (0.47) MAPTSMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL11212351 0.81 ABL1 (0.63) ABL1FABP6MAPTSMN1; SMN2TP53

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 ABL1 1021/4885FABP6 2884/4885MAPT 2888/4885

“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.