SCHEMBL3308279

SCHEMBL3308279

Cc1ccc(NC(=O)C(=O)O)nc1.[LiH]

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.79
MAPT P10636 3/20 0.79
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 11/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
GAA P10253 2/20 0.51
TP53 P04637 2/20 0.51
GLA P06280 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PKM P14618 1/20 0.51
SORT1 Q99523 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49
HCRTR1 O43613 1/20 0.48

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
SCHEMBL13394455 0.98 RAB9A (0.82) RAB9AMAPTKDM4ENPC1SMN1; SMN2
Lithium SCHEMBL3308294 0.96 RAB9A (0.79) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL2636192 0.85 RAB9A (0.78) RAB9AMAPTKDM4ENPC1SMN1; SMN2
Lithium Ion SCHEMBL3308283 0.84 RAB9A (0.77) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL22728202 0.82 RAB9A (0.79) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL14143838 0.81 RAB9A (0.77) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL3308221 0.81 RAB9A (0.77) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL271934 0.80 RAB9A (0.70) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL423961 0.79 RAB9A (0.75) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL209867 0.79 L3MBTL1 (0.68) RAB9AMAPTNPC1SMN1; SMN2MEN1

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-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP 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 (3 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL RAB9A 1817/4885MAPT 1834/4885KDM4E 4615/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 RAB9A 3368/4885MAPT 4451/4885KDM4E 3761/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 RAB9A 1678/4885MAPT 4007/4885KDM4E 4080/4885

“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.