SCHEMBL21244768

SCHEMBL21244768

Cc1ccc2c(c1)cc(-c1ccccc1)n2C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.48
EGFR P00533 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
TBXA2R P21731 1/20 0.48
PTGS2 P35354 1/20 0.48
OPRD1 P41143 1/20 0.48
PDE4D Q08499 1/20 0.48
ACLY P53396 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP3 Q96P20 1/20 0.40
CYP2C9 P11712 1/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
MAOB P27338 2/20 0.38
PSMB5 P28074 1/20 0.37
CYP2A6 P11509 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL11703292 0.83 KMT2A (0.59) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL22004367 0.83 CYP11B1 (0.42) PTGS2ACLYKMT2ACYP19A1GRIK1
SCHEMBL2418905 0.83 ALDH1A1 (0.40) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL22003798 0.83 ACLY (0.44) ACLYKMT2A
SCHEMBL22003809 0.80 GRIK1 (0.62) ACLYKMT2AGRIK1GRIK2MAOB
SCHEMBL22005105 0.80 ACLY (0.46) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL22004126 0.79 ACLY (0.45) ACLYKMT2ACYP19A1GRIK1GRIK2
SCHEMBL22004127 0.79 ACLY (0.51) ACLYHTTMAOBKDM4EALDH1A1
SCHEMBL11662919 0.78 KMT2A (0.68) ADORA3ACLYKMT2ANLRP3CYP19A1
SCHEMBL21244829 0.77 KMT2A (0.41) NR1I2EGFRADRA2AADORA3TBXA2R

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 5 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
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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 (4 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG NR1I2 2837/4885EGFR 3507/4885ADRA2A 4635/4885
US-20210070784-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT NR1I2 1909/4885EGFR 4755/4885ADRA2A 3323/4885
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT NR1I2 1909/4885EGFR 4755/4885ADRA2A 3323/4885
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same NAMPT, NNT, NAPRT NR1I2 1909/4885EGFR 4755/4885ADRA2A 3323/4885

“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.