SCHEMBL335678

SCHEMBL335678

CCOc1cccc(C(NC(=O)c2ccc(N(CC)CC)cc2)C(O)C(=O)Nc2ccc3nc(N)sc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
LMNA P02545 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KIT P10721 1/20 0.45
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CSNK1D P48730 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 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
SCHEMBL336282 0.90 KIT (0.46) MAPTLMNAALDH1A1KITNPC1
SCHEMBL336521 0.90 NPC1 (0.45) MAPTLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL335151 0.89 NPC1 (0.48) MAPTLMNAALDH1A1KITNPC1
SCHEMBL336153 0.86 EPHX2 (0.47) MAPTLMNAALDH1A1KITNPC1
SCHEMBL336055 0.85 MAPT (0.46) MAPTLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL335345 0.84 RAB9A (0.52) MAPTLMNAALDH1A1KITNPC1
SCHEMBL336541 0.84 ALDH1A1 (0.47) MAPTLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL335375 0.84 KIT (0.45) MAPTLMNAALDH1A1KITNPC1
SCHEMBL335837 0.84 EPHX2 (0.45) MAPTLMNAALDH1A1KITNPC1
SCHEMBL334997 0.78 KIT (0.46) MAPTLMNAALDH1A1KITNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP claimed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed
CN-101516834-A Isoserine derivatives for use as coagulation factor ixa inhibitors SANOFI AVENTIS (FR) 2009-08-26 CN claimed
CN-1359423-A Herbicide resistant plants HINZENTA CO LTD (GB) 2002-07-17 CN 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 MAPT 3998/4885LMNA 2062/4885ALDH1A1 3166/4885

“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.