SCHEMBL23779668

SCHEMBL23779668

Cc1nc(N2CCCCCC2)c(C(=O)Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SCN10A Q9Y5Y9 11/20 0.43
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLP1R P43220 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
FABP3 P05413 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL11278172 0.88 CNR2 (0.48) ALDH1A1KDM4EMEN1MAPK1KMT2A
SCHEMBL23779608 0.88 CNR2 (0.48) ALDH1A1KDM4EMEN1MAPK1KMT2A
SCHEMBL31037380 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1MAPK1KMT2A
SCHEMBL31037392 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1MAPK1KMT2A
SCHEMBL25391058 0.74 SCN10A (0.60) SCN10A
SCHEMBL25389683 0.73 SCN10A (0.43) ALDH1A1KDM4EMEN1MAPK1KMT2A
SCHEMBL21906155 0.73 SCN10A (0.60) SCN10A
SCHEMBL30927519 0.73 SCN10A (0.60) SCN10A
SCHEMBL29256708 0.72 SCN10A (0.55) ALDH1A1KDM4EMEN1MAPK1KMT2A
SCHEMBL29256608 0.72 SCN10A (0.55) ALDH1A1KDM4EMEN1MAPK1KMT2A

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-20220119363-A1 2-AMINO-N-PHENYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-04-21 US disclosed
EP-3873468-A1 2-AMINO-N-PHENYL-NICOTINAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-09-08 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-20220119363-A1 2-AMINO-N-PHENYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, TRPV1, SCN2A ALDH1A1 1424/4885KDM4E 3634/4885MEN1 4464/4885

“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.