SCHEMBL23779571

SCHEMBL23779571

COc1nc(N2CCCCCC2)c(C(=O)O)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
DHODH Q02127 2/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
FABP3 P05413 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
HPGD P15428 3/20 0.39
GLA P06280 3/20 0.39
GAA P10253 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL23779452 0.88 OPRK1 (0.47) ALDH1A1KDM4EL3MBTL1KMT2ASMN1; SMN2
SCHEMBL23779674 0.85 HSD17B10 (0.40) JAK2DHODHALDH1A1KDM4EL3MBTL1
SCHEMBL11278172 0.74 CNR2 (0.48) JAK2DHODHALDH1A1KDM4EFABP3
SCHEMBL11273173 0.74 ALDH1A1 (0.48) JAK2DHODHALDH1A1KDM4EL3MBTL1
SCHEMBL23779608 0.74 CNR2 (0.48) JAK2DHODHALDH1A1KDM4EFABP3
SCHEMBL26625432 0.74 KEAP1 (0.47) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL4487727 0.74 KDM4E (0.52) ALDH1A1KDM4EL3MBTL1HPGDGAA
SCHEMBL23779558 0.73 OPRK1 (0.49) KDM4ESMN1; SMN2
SCHEMBL20569435 0.73 MAP3K5 (0.52) ALDH1A1KDM4EL3MBTL1FABP3CYP3A4
SCHEMBL31343740 0.72 SCN10A (0.60) SCN10A

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 JAK2 2462/4885DHODH 3476/4885ALDH1A1 1424/4885

“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.