SCHEMBL6775828

SCHEMBL6775828

CCc1ncccc1C(C#N)(CC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.37
PDE4A P27815 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ELANE P08246 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
SLC13A5 Q86YT5 2/20 0.31
GCK P35557 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
SSTR4 P31391 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL9735256 0.75 SMN1; SMN2 (0.41) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL1151512 0.75 L3MBTL1 (0.37) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL6049528 0.71 TSHR (0.38) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL701485 0.71 ALDH1A1 (0.41) CHRM2CHRM1CHRM3KMT2A
SCHEMBL14896105 0.69 NPSR1 (0.46) MEN1KMT2A
SCHEMBL1132774 0.69 TDP1 (0.35) PLCG1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6439643 0.68 CXCR4 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9947018 0.67 EPHX2 (0.44) EGLN1SSTR4
SCHEMBL7900944 0.66 CYP2C9 (0.47) SMN1; SMN2
SCHEMBL3747781 0.66 P2RX7 (0.41) PLCG1KMT2ASMN1; SMN2SLC13A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 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 (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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 PLCG1 1830/4885PDE4A 4406/4885SLC22A12 2298/4885

“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.