SCHEMBL1504138

SCHEMBL1504138

CN(C)C(=O)[C@H]1CCCC(N(NC(=S)C(=O)Nc2ccc(Cl)cn2)C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
F10 P00742 3/20 0.41
F2 P00734 1/20 0.41
F5 P12259 1/20 0.41
USP30 Q70CQ3 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTK2 Q05397 1/20 0.38
KCNH2 Q12809 1/20 0.37
MAPT P10636 1/20 0.37
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1503995 0.92 L3MBTL1 (0.44) L3MBTL1F10F2F5USP30
SCHEMBL4954432 0.90 RAB9A (0.43) L3MBTL1RAB9ANPC1ALDH1A1MAPT
SCHEMBL1504064 0.89 GRM5 (0.38) F10F2F5
SCHEMBL4260523 0.88 L3MBTL1 (0.41) L3MBTL1F10F2F5USP30
SCHEMBL4955372 0.87 L3MBTL1 (0.44) L3MBTL1F10F2F5USP30
SCHEMBL4955316 0.84 KCNQ3 (0.36) F10
SCHEMBL6891046 0.81 PRMT5 (0.31) MAPT
SCHEMBL4952692 0.80 L3MBTL1 (0.44) L3MBTL1USP30RAB9ANPC1ALDH1A1
SCHEMBL715127 0.79 L3MBTL1 (0.43) L3MBTL1F10F2F5USP30
SCHEMBL368516 0.79 L3MBTL1 (0.43) L3MBTL1F10F2F5USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-7365205-B2 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 SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 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 (7 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 L3MBTL1 4055/4885F10 4/4885F2 1/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R L3MBTL1 385/4885F10 196/4885F2 4/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R L3MBTL1 385/4885F10 196/4885F2 4/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R L3MBTL1 385/4885F10 196/4885F2 4/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R L3MBTL1 309/4885F10 72/4885F2 4/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 L3MBTL1 4055/4885F10 4/4885F2 1/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R L3MBTL1 297/4885F10 138/4885F2 4/4885

“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.