Sugi Predict

Sugi Predict / Compounds / SCHEMBL23979061

SCHEMBL23979061

SCHEMBL23979061

COC(=O)c1c(Cl)ccc(N(C)c2ncc3ccccc3n2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ NCEH1 Q6PIU2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ ABL1 P00519 1/20 0.33

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
SCHEMBL23979062 0.89 MAPT (0.35) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL30336865 0.87 FGFR4 (0.36) TDP1KDM4EKMT2AALDH1A1HPGD
SCHEMBL30336944 0.87 FGFR4 (0.36) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL23978658 0.87 FGFR4 (0.36) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL23978659 0.87 FGFR4 (0.36) TDP1KDM4EKMT2AALDH1A1HPGD
SCHEMBL26496227 0.81 KMT2A (0.38) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL23978660 0.78 CYP1A2 (0.37) FGFR4
SCHEMBL23978706 0.75 MAP3K5 (0.45) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL15655786 0.66 ALDH1A1 (0.45) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL12003727 0.65 CYP1A2 (0.56) MAPTKDM4EMEN1KMT2AALDH1A1

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-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-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-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 MAPT 4656/4885TDP1 2994/4885KDM4E 3779/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 MAPT 4656/4885TDP1 2994/4885KDM4E 3779/4885

“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.