SCHEMBL7015412

SCHEMBL7015412

[CH2]c1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 6/20 0.52
BRD4 O60885 3/20 0.49
CREBBP Q92793 1/20 0.49
KDM4A O75164 1/20 0.48
NAMPT P43490 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 1/20 0.44
CYP3A4 P08684 1/20 0.44
BRD9 Q9H8M2 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
IDO1 P14902 1/20 0.43

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
SCHEMBL30504293 0.84 HDAC1 (0.56) GLSBRD4CREBBPKDM4ANAMPT
SCHEMBL30151702 0.84 GLS (0.52) GLSBRD4CREBBPKDM4ANAMPT
SCHEMBL8279661 0.84 POLB (0.53) GLSBRD4CREBBPKDM4ANAMPT
SCHEMBL1111369 0.84 GLS (0.52) GLSBRD4CREBBPKDM4ANAMPT
SCHEMBL8342682 0.84 GLS (0.55) GLSBRD4CREBBPKDM4ANAMPT
SCHEMBL30069429 0.84 GLS (0.55) GLSBRD4CREBBPKDM4ANAMPT
SCHEMBL13981921 0.84 GLS (0.55) GLSBRD4CREBBPKDM4ANAMPT
SCHEMBL1165088 0.84 GLS (0.55) GLSBRD4CREBBPKDM4ANAMPT
SCHEMBL16181822 0.84 GLS (0.55) GLSBRD4CREBBPKDM4ANAMPT
SCHEMBL6285264 0.82 CTSS (0.56) GLSBRD4CREBBPKDM4A

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-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US disclosed
CN-1441783-A Drug containing dicyanopyridine derivative YAMANOUCHI PHARMA CO LTD (JP) 2003-09-10 CN disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 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 (1 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-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 GLS 156/4885BRD4 1457/4885CREBBP 4740/4885

“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.