SCHEMBL23978798

SCHEMBL23978798

O=C(O)c1c(Cl)cc2c(c1Cl)CCN(Cc1cccc(Cl)c1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ DHPS P49366 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ AKR1B10 O60218 3/20 0.41
▸ AKR1A1 P14550 3/20 0.41
▸ AKR1B1 P15121 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ERCC5 P28715 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
SCHEMBL30279386 1.00 P2RX7 (0.48) P2RX7ALDH1A1HPGDMAPTCYP2C9
SCHEMBL23978727 0.92 DHPS (0.48) ALDH1A1MAPTCYP2C9CYP2C19DHPS
SCHEMBL30279428 0.92 DHPS (0.48) ALDH1A1MAPTCYP2C9CYP2C19DHPS
SCHEMBL30279391 0.89 SMN1; SMN2 (0.46) ALDH1A1DHPSSMN1; SMN2MEN1KMT2A
SCHEMBL23978742 0.89 SMN1; SMN2 (0.46) ALDH1A1DHPSSMN1; SMN2MEN1KMT2A
SCHEMBL10129824 0.89 SMN1; SMN2 (0.45) P2RX7ALDH1A1HPGDDHPSSMN1; SMN2
SCHEMBL30279449 0.89 SMN1; SMN2 (0.45) P2RX7ALDH1A1HPGDDHPSSMN1; SMN2
SCHEMBL23978872 0.89 P2RX7 (0.46) P2RX7ALDH1A1HPGDMAPTCYP2C9
SCHEMBL23978808 0.88 SMN1; SMN2 (0.47) P2RX7ALDH1A1HPGDMAPTCYP2C9
SCHEMBL30279364 0.88 SMN1; SMN2 (0.47) P2RX7ALDH1A1HPGDMAPTCYP2C9

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 6 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
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 — — CN 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 P2RX7 1165/4885ALDH1A1 399/4885HPGD 2579/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 P2RX7 1165/4885ALDH1A1 399/4885HPGD 2579/4885

“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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