SCHEMBL21246047

SCHEMBL21246047

O=C1c2ccccc2C(=O)N1CCCCCC(=O)N1CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.81
ALDH1A1 P00352 6/20 0.78
MAPK1 P28482 2/20 0.70
MAPT P10636 3/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TP53 P04637 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NOTUM Q6P988 1/20 0.56
POLB P06746 1/20 0.56
HTR1A P08908 1/20 0.53
HTR7 P34969 1/20 0.53

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
SCHEMBL23084548 0.92 ALDH1A1 (0.85) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL21225692 0.79 MAPT (0.78) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL30274509 0.79 MAPT (0.78) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL7339766 0.79 NOTUM (0.83) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL21245253 0.79 HRH1 (0.62) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL4637111 0.78 MAPT (0.80) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL11992516 0.77 ACHE (0.69) TSHRALDH1A1MAPK1MAPTKMT2A
SCHEMBL4636800 0.76 MAPT (0.82) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL12883043 0.76 MAPT (0.82) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL284860 0.76 HDAC8 (0.64) ALDH1A1NPC1RAB9AHTR1AHTR7

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 TSHR 4424/4885ALDH1A1 726/4885MAPK1 877/4885
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT TSHR 4424/4885ALDH1A1 726/4885MAPK1 877/4885
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same NAMPT, NNT, NAPRT TSHR 4424/4885ALDH1A1 726/4885MAPK1 877/4885

“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.