SCHEMBL3307213

SCHEMBL3307213

O=C(O)/C(F)=C\c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
F2 P00734 1/20 0.38
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
MDM2 Q00987 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GSK3B P49841 1/20 0.35
PPARA Q07869 1/20 0.34
G6PC1 P35575 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL3307211 1.00 DAO (0.42) DAOMAPTLMNAF2ALDH1A1
SCHEMBL3307215 1.00 DAO (0.42) DAOMAPTLMNAF2ALDH1A1
SCHEMBL3310480 0.76 ALDH1A1 (0.45) MAPTLMNAALDH1A1HPGDRAB9A
SCHEMBL3310482 0.76 ALDH1A1 (0.45) MAPTLMNAALDH1A1HPGDRAB9A
SCHEMBL3310472 0.76 ALDH1A1 (0.45) MAPTLMNAALDH1A1HPGDRAB9A
SCHEMBL4707030 0.75 DAO (0.40) DAOMAPTLMNAF2ALDH1A1
SCHEMBL4388033 0.71 DAO (0.37) DAOMAPTLMNAF2ALDH1A1
SCHEMBL4388032 0.71 DAO (0.37) DAOMAPTLMNAF2ALDH1A1
SCHEMBL77017 0.69 MAPK1 (0.56) DAOMAPTLMNAF2ALDH1A1
SCHEMBL77016 0.69 MAPK1 (0.56) DAOMAPTLMNAF2ALDH1A1

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 DAO 675/4885MAPT 1834/4885LMNA 4081/4885
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 DAO 445/4885MAPT 4451/4885LMNA 2788/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 DAO 723/4885MAPT 4007/4885LMNA 3830/4885

“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.