SCHEMBL21245274

SCHEMBL21245274

NCCCCCCn1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.50
MCL1 Q07820 4/20 0.50
ROCK1 Q13464 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX5 P09917 1/20 0.48
HTR7 P34969 1/20 0.47
SRD5A2 P31213 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL6097633 0.88 MEN1 (0.53) BCL2MCL1MEN1NPC1RAB9A
SCHEMBL3927600 0.88 MEN1 (0.53) BCL2MCL1MEN1NPC1RAB9A
SCHEMBL14274532 0.85 MEN1 (0.52) BCL2MCL1ROCK1MEN1NPC1
SCHEMBL17602263 0.83 MEN1 (0.56) BCL2MCL1ROCK1MEN1NPC1
SCHEMBL21245229 0.83 BCL2 (0.48) BCL2MCL1MEN1NPC1RAB9A
SCHEMBL4191518 0.82 MEN1 (0.54) BCL2MCL1ROCK1MEN1NPC1
SCHEMBL27587634 0.82 BCL2 (0.56) BCL2MCL1SRD5A2PPARDPPARA
SCHEMBL5988329 0.80 HTR2C (0.57) MCL1MEN1KMT2A
SCHEMBL21245824 0.80 HTR2C (0.57) MCL1MEN1KMT2A
SCHEMBL3193186 0.80 MAPK14 (0.61) ROCK1MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV INDIANA TRUSTEES (US) 2023-04-20 US disclosed
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same THE TRUSTEES OF INDIANA UNIVERSITY (US) 2023-02-21 US disclosed
US-20210070784-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-03-11 US disclosed
WO-2019153007-A2 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME THE BOARO OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-08-08 WO 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 (3 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-20210070784-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT BCL2 4673/4885MCL1 4515/4885ROCK1 1250/4885
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT BCL2 4673/4885MCL1 4515/4885ROCK1 1250/4885
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same NAMPT, NNT, NAPRT BCL2 4673/4885MCL1 4515/4885ROCK1 1250/4885

“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.