SCHEMBL4265700

SCHEMBL4265700

CN(C)C(=O)[C@H]1CC[C@H](NC(=S)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
MAPT P10636 6/20 0.36
HTT P42858 4/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PPIA P62937 1/20 0.35
P2RX1 P51575 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 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
SCHEMBL13413146 0.86 REN (0.33) KMT2AMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL4267977 0.83 F10 (0.37) MAPTLMNASMN1; SMN2NPC1MAPK1
SCHEMBL12101123 0.83 F10 (0.37) MAPTLMNASMN1; SMN2NPC1MAPK1
SCHEMBL13394454 0.82 NPC1 (0.36) KMT2AMEN1MAPTLMNAGAA
SCHEMBL4263467 0.82 NPC1 (0.36) KMT2AMEN1MAPTLMNAGAA
SCHEMBL4263462 0.82 NPC1 (0.36) KMT2AMEN1MAPTLMNAGAA
SCHEMBL4265703 0.79 HTT (0.41) KMT2AMEN1MAPTHTTLMNA
SCHEMBL4261366 0.78 F10 (0.38) KMT2ALMNA
SCHEMBL4265701 0.77 F10 (0.39)
SCHEMBL4260514 0.77 F10 (0.50) MAPTALDH1A1NPSR1SMN1; SMN2NPC1

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 7 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-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-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

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 KMT2A 2546/4885MEN1 322/4885MAPT 1834/4885
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 KMT2A 3495/4885MEN1 726/4885MAPT 4451/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 KMT2A 3693/4885MEN1 989/4885MAPT 4007/4885

“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.