SCHEMBL1026326

SCHEMBL1026326

CCOC(=O)CN(CC(=O)OCC)c1cc(-c2ncc(C)s2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
KDR P35968 1/20 0.35
HDAC4 P56524 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 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
SCHEMBL1027887 0.91 CDC7 (0.40) CDC7DBF4SMN1; SMN2TRPM8HSD17B1
SCHEMBL1026985 0.85 HDAC4 (0.40) HSD17B1HSD17B2HDAC4
SCHEMBL1196564 0.82 KDM4E (0.41) SMN1; SMN2TRPM8KDRNPC1PKM
SCHEMBL1026068 0.78 TLR8 (0.36) SMN1; SMN2RAB9AKDM4EALDH1A1MEN1
SCHEMBL1025693 0.77 MAPT (0.37) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1025641 0.76 ALDH1A1 (0.50) HSD17B1HSD17B2NPC1PKMRAB9A
SCHEMBL1027182 0.76 HDAC4 (0.40) HSD17B1HSD17B2HDAC4
SCHEMBL1025395 0.76 RAB9A (0.45) HSD17B1HSD17B2NPC1PKMRAB9A
SCHEMBL1027736 0.75 MMP2 (0.49) SMN1; SMN2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL1026060 0.75 MAPT (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 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 (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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 CDC7 4235/4885DBF4 4823/4885SMN1; SMN2 345/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 CDC7 2129/4885DBF4 3851/4885SMN1; SMN2 2462/4885

“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.