SCHEMBL21246048

SCHEMBL21246048

NCCCCCCn1c(-c2ccccc2)cc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.51
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
CNR2 P34972 2/20 0.47
BACE1 P56817 4/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
APP P05067 2/20 0.40
NTRK1 P04629 1/20 0.40
NTRK3 Q16288 1/20 0.40
ACLY P53396 2/20 0.40
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40

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
SCHEMBL11689282 0.94 ALDH1A1 (0.61) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL11558486 0.87 ALDH1A1 (0.65) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL11555475 0.86 ALDH1A1 (0.63) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL4847027 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL11664571 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL10413633 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL11663572 0.83 ALDH1A1 (0.60) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL4939569 0.83 ALDH1A1 (0.60) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL9416226 0.81 ALDH1A1 (0.61) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL9040161 0.81 ALDH1A1 (0.61) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B

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 ALDH1A1 726/4885L3MBTL1 3939/4885KMT2A 770/4885
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT ALDH1A1 726/4885L3MBTL1 3939/4885KMT2A 770/4885
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same NAMPT, NNT, NAPRT ALDH1A1 726/4885L3MBTL1 3939/4885KMT2A 770/4885

“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.