SCHEMBL23431981

SCHEMBL23431981

O=C(NCC1CCCCCCCCC1)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 1.00
EPHX2 P34913 4/20 0.70
ALDH1A1 P00352 4/20 0.63
BRD4 O60885 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
ROCK2 O75116 1/20 0.59
POLB P06746 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.54
MAPT P10636 1/20 0.53
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL12196136 1.00 EPHX1 (1.00) EPHX1EPHX2ALDH1A1BRD4L3MBTL1
SCHEMBL23432014 1.00 EPHX1 (1.00) EPHX1EPHX2ALDH1A1BRD4L3MBTL1
SCHEMBL9178993 0.92 EPHX1 (0.84) EPHX1EPHX2ALDH1A1BRD4L3MBTL1
SCHEMBL8600781 0.84 EPHX1 (0.73) EPHX1EPHX2ALDH1A1BRD4L3MBTL1
SCHEMBL5640619 0.84 EPHX1 (0.73) EPHX1EPHX2RAB9ANPC1ROCK2
SCHEMBL8600776 0.84 EPHX1 (0.73) EPHX1EPHX2ALDH1A1BRD4L3MBTL1
SCHEMBL23406287 0.83 EPHX1 (0.71) EPHX1EPHX2ALDH1A1RAB9ANPC1
SCHEMBL20589978 0.83 EPHX1 (0.71) EPHX1EPHX2ALDH1A1RAB9ANPC1
SCHEMBL12196146 0.83 EPHX1 (1.00) EPHX1EPHX2L3MBTL1RAB9ANPC1
SCHEMBL12196177 0.83 EPHX1 (1.00) EPHX1EPHX2ALDH1A1RAB9ANPC1

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-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-06-03 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 (2 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-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT EPHX1 3475/4885EPHX2 3496/4885ALDH1A1 1943/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT EPHX1 3475/4885EPHX2 3496/4885ALDH1A1 1943/4885

“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.