SCHEMBL4112915

SCHEMBL4112915

Cc1ccc(NC(=O)C(O)(O)C(O)(O)C(=O)Nc2ccc3c(N)nccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 7/20 0.49
IMPDH2 P12268 1/20 0.47
LRRK2 Q5S007 1/20 0.46
C1S P09871 1/20 0.46
ROCK1 Q13464 1/20 0.46
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F7 P08709 6/20 0.41
F3 P13726 3/20 0.41
F10 P00742 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
DOT1L Q8TEK3 2/20 0.40
PRMT7 Q9NVM4 2/20 0.40
F2 P00734 1/20 0.40
KDR P35968 1/20 0.40
PLAU P00749 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
SCHEMBL4115790 0.83 F9 (0.59) F9IMPDH2LRRK2C1SROCK1
SCHEMBL7902184 0.79 F7 (0.57) F9LRRK2ROCK1NPC1RAB9A
SCHEMBL12545728 0.76 F9 (0.55) F9LRRK2NPC1LMNARAB9A
SCHEMBL17244531 0.74 F9 (0.52) F9LRRK2C1SROCK1F7
SCHEMBL8149138 0.72 ROCK1 (0.58) C1SROCK1LMNAPRSS1PRSS2
SCHEMBL4100589 0.71 MAPT (0.52) RAB9ASMN1; SMN2KDRPLAU
SCHEMBL23988833 0.68 ALDH1A1 (0.51) C1SROCK1PRSS1PRSS2PRSS3
SCHEMBL1232547 0.67 F9 (0.67) F9C1SROCK1F7F3
SCHEMBL335640 0.66 F7 (0.56) F9LRRK2ROCK1F7F3
SCHEMBL16457017 0.66 ROCK2 (0.65) F9ROCK1F7F3

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 F9 3/4885IMPDH2 1467/4885LRRK2 4359/4885

“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.