SCHEMBL4931399

SCHEMBL4931399

[C-]#[N+]C(CCCCCCCCCC(C)C)NC(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4931390 0.73
SCHEMBL4931403 0.68 KDM4E (0.37) KDM4EL3MBTL1KMT2AALDH1A1LMNA
SCHEMBL4930377 0.65 HTR1B (0.32) KDM4EKMT2AHTTALDH1A1
SCHEMBL10361949 0.64 MAPT (0.45) KDM4EL3MBTL1KMT2AMAPTATM
SCHEMBL22288178 0.63 MAPT (0.41) KDM4EL3MBTL1KMT2ALMNAMAPT
SCHEMBL8211957 0.62 TACR3 (0.42) KDM4EL3MBTL1KMT2AALDH1A1GLA
SCHEMBL8207670 0.62 MAPT (0.43) KDM4EL3MBTL1KMT2AMAPTATM
SCHEMBL27462355 0.62 ALDH1A1 (0.41) KDM4EL3MBTL1KMT2AALDH1A1GLA
SCHEMBL2113229 0.62 MAPT (0.43) KDM4EL3MBTL1KMT2AALDH1A1LMNA
SCHEMBL11236029 0.62 CYP1A2 (0.36) KDM4EL3MBTL1KMT2AALDH1A1LMNA

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-20080299674-A1 Novel Isonitrile Compound, Its Method Of Manufacture, A Marine Fouling Organism Larva Fluorescent, And A Method Of Detecting This Marine Fouling Organism Larva Using Said Marker CENTRAL RESEARCH INSTITUTE OF ELECTRIC POWER INDUSTRY (JP) 2008-12-04 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-20080299674-A1 Novel Isonitrile Compound, Its Method Of Manufacture, A Marine Fouling Organism Larva Fluorescent, And A Method Of Detecting This Marine Fouling Organism Larva Using Said Marker PFAS, FUCA1, FLNB KDM4E 4252/4885L3MBTL1 530/4885KMT2A 3586/4885

“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.