SCHEMBL23978727

SCHEMBL23978727

O=C(O)c1c(Cl)cc2c(c1Cl)CCN(Cc1ccccc1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ GRM5 P41594 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ AKR1B10 O60218 4/20 0.43
▸ AKR1A1 P14550 4/20 0.43
▸ AKR1B1 P15121 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL30279428 1.00 DHPS (0.48) DHPSSMN1; SMN2KMT2AMEN1GRM5
SCHEMBL23978798 0.92 P2RX7 (0.48) DHPSSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL30279386 0.92 P2RX7 (0.48) DHPSSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL30279449 0.92 SMN1; SMN2 (0.45) DHPSSMN1; SMN2KMT2AMEN1GRM5
SCHEMBL10129824 0.92 SMN1; SMN2 (0.45) DHPSSMN1; SMN2KMT2AMEN1GRM5
SCHEMBL23978742 0.90 SMN1; SMN2 (0.46) DHPSSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL30279391 0.90 SMN1; SMN2 (0.46) DHPSSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL23978854 0.89 DHPS (0.45) DHPSSMN1; SMN2KMT2AMEN1GRM5
SCHEMBL23978723 0.88 SMN1; SMN2 (0.52) DHPSSMN1; SMN2KMT2AMEN1GRM5
SCHEMBL30279426 0.88 SMN1; SMN2 (0.52) DHPSSMN1; SMN2KMT2AMEN1GRM5

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 7 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
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 DHPS 3644/4885SMN1; SMN2 3098/4885KMT2A 3044/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 DHPS 3644/4885SMN1; SMN2 3098/4885KMT2A 3044/4885

“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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