SCHEMBL30825541

SCHEMBL30825541

COc1nc2c(cc1C#N)CCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 11/20 0.50
HSD17B10 Q99714 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 2/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 5/20 0.49
HPGD P15428 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 3/20 0.47
PPARG P37231 2/20 0.47
NCOA2 Q15596 2/20 0.47
NCOA1 Q15788 2/20 0.47

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
SCHEMBL7903020 0.95 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL31647674 0.75 ALDH1A1 (0.56) KDM4ESMN1; SMN2ALDH1A1HSD17B10MAPT
SCHEMBL23793117 0.75 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL16019318 0.75 SMN1; SMN2 (0.93) KDM4ESMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL16019317 0.75 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL29375167 0.75 SMN1; SMN2 (0.93) KDM4ESMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL30471680 0.75 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL15116256 0.75 SMN1; SMN2 (0.65) KDM4ESMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL1101890 0.74 KDM4E (1.00) KDM4ESMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL23782845 0.74 GAA (0.40) KDM4ESMN1; SMN2ALDH1A1HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970455-B1 7-(4-fluorobenzylidene)-4-(4-fluorophenyl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile as an antimicrobial compound King Faisal University (SA) 2024-04-30 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-11970455-B1 7-(4-fluorobenzylidene)-4-(4-fluorophenyl)-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile as an antimicrobial compound CASP4, CASP7, MFN2 KDM4E 2178/4885SMN1; SMN2 4057/4885ALDH1A1 1363/4885

“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.