SCHEMBL23978670

SCHEMBL23978670

CN(Cc1ccccc1)C(=O)NCCNC(=O)c1c(Cl)cc(C(=O)NCc2cccc(O)c2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 9/20 0.45
SIGMAR1 Q99720 9/20 0.45
MT-CO2 P00403 1/20 0.44
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PPARG P37231 2/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CXCR3 P49682 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 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
SCHEMBL24804507 0.91 TMEM97 (0.51) TMEM97SIGMAR1MEN1NPC1RAB9A
SCHEMBL23978549 0.85 ITGAL (0.44) TMEM97SIGMAR1MT-CO2ROCK2ROCK1
SCHEMBL30279400 0.85 ITGAL (0.44) TMEM97SIGMAR1MT-CO2ROCK2ROCK1
SCHEMBL23978649 0.85 ITGAL (0.44) TMEM97SIGMAR1MT-CO2ROCK2ROCK1
SCHEMBL26498790 0.82 MAPT (0.40) TMEM97SIGMAR1MT-CO2ROCK2ROCK1
SCHEMBL23978615 0.82 MAPT (0.40) TMEM97SIGMAR1MT-CO2ROCK2ROCK1
SCHEMBL23978668 0.79 MT-CO2 (0.39) TMEM97SIGMAR1MT-CO2ROCK2ROCK1
SCHEMBL30336905 0.78 ROCK2 (0.54) MT-CO2ROCK2ROCK1ALDH1A1PPARG
SCHEMBL3867075 0.78 ROCK2 (0.54) MT-CO2ROCK2ROCK1ALDH1A1PPARG
SCHEMBL23978942 0.77 ITGB1 (0.46) TMEM97SIGMAR1MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 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 (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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 TMEM97 209/4885SIGMAR1 675/4885MT-CO2 4173/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 TMEM97 209/4885SIGMAR1 675/4885MT-CO2 4173/4885

“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.