SCHEMBL23978802

SCHEMBL23978802

COC(=O)c1c(Cl)cc2c(c1Cl)CCN(CC#CC1CC1)C2=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ PKM P14618 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 3/20 0.31
▸ EZH2 Q15910 3/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL30279363 1.00 SMN1; SMN2 (0.32) SMN1; SMN2PKMALDH1A1MAPTEZH2
SCHEMBL23978794 0.88 — —
SCHEMBL30279399 0.82 GRM5 (0.36) SMN1; SMN2PKMALDH1A1MAPTEZH2
SCHEMBL23978787 0.82 GRM5 (0.36) SMN1; SMN2PKMALDH1A1MAPTEZH2
SCHEMBL23978723 0.77 SMN1; SMN2 (0.52) SMN1; SMN2PKMALDH1A1MAPTLMNA
SCHEMBL10129825 0.77 ALDH1A1 (0.45) SMN1; SMN2PKMALDH1A1MAPTLMNA
SCHEMBL30279422 0.77 ALDH1A1 (0.45) SMN1; SMN2PKMALDH1A1MAPTLMNA
SCHEMBL30279426 0.77 SMN1; SMN2 (0.52) SMN1; SMN2PKMALDH1A1MAPTLMNA
SCHEMBL30279429 0.76 EZH2 (0.32) EZH2
SCHEMBL23978800 0.76 MAPK1 (0.33) ALDH1A1

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-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 SMN1; SMN2 3098/4885PKM 4776/4885ALDH1A1 399/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 SMN1; SMN2 3098/4885PKM 4776/4885ALDH1A1 399/4885

“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.

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