SCHEMBL4267987

SCHEMBL4267987

CN(C)C(=O)[C@H]1CCCC(N(NC(=S)C(=O)Nc2ccc(Cl)nc2)C(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.35
KCNQ3 O43525 7/20 0.33
KCNQ2 O43526 7/20 0.33
KCNE1 P15382 3/20 0.33
KCNQ1 P51787 3/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
REN P00797 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL4955316 0.88 KCNQ3 (0.36) RHOAKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4261370 0.86 REN (0.31) RENKMT2A
SCHEMBL4265707 0.86 VNN1 (0.30)
SCHEMBL4260523 0.86 L3MBTL1 (0.41) ALDH1A1MAPTRAB9ASMN1; SMN2NPSR1
SCHEMBL4265703 0.82 HTT (0.41) ALDH1A1MAPTMAPK1HTTRAB9A
SCHEMBL4267977 0.78 F10 (0.37) MAPTMAPK1RAB9ASMN1; SMN2REN
SCHEMBL12101123 0.78 F10 (0.37) MAPTMAPK1RAB9ASMN1; SMN2REN
SCHEMBL715127 0.78 L3MBTL1 (0.43) ALDH1A1RAB9ASMN1; SMN2NPSR1L3MBTL1
SCHEMBL368516 0.78 L3MBTL1 (0.43) ALDH1A1RAB9ASMN1; SMN2NPSR1L3MBTL1
SCHEMBL3309223 0.76 L3MBTL1 (0.41) ALDH1A1MAPTRAB9ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 RHOA 4864/4885KCNQ3 548/4885KCNQ2 603/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 RHOA 4883/4885KCNQ3 171/4885KCNQ2 238/4885

“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.