SCHEMBL10129824

SCHEMBL10129824

O=C(O)c1c(Cl)cc2c(c1Cl)CCN(Cc1ccc(Cl)cc1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ AKR1B1 P15121 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ WDR5 P61964 2/20 0.40
▸ DHPS P49366 1/20 0.40
▸ ERCC1 P07992 1/20 0.40
▸ ERCC4 Q92889 1/20 0.40
▸ AKR1B10 O60218 3/20 0.39
▸ AKR1A1 P14550 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL30279449 1.00 SMN1; SMN2 (0.45) SMN1; SMN2AKR1B1ALDH1A1P2RX7EGLN1
SCHEMBL30279428 0.92 DHPS (0.48) SMN1; SMN2AKR1B1ALDH1A1KMT2ADHPS
SCHEMBL23978727 0.92 DHPS (0.48) SMN1; SMN2AKR1B1ALDH1A1KMT2ADHPS
SCHEMBL23978860 0.89 SMN1; SMN2 (0.44) SMN1; SMN2AKR1B1ALDH1A1P2RX7EGLN1
SCHEMBL23978798 0.89 P2RX7 (0.48) SMN1; SMN2AKR1B1ALDH1A1P2RX7KMT2A
SCHEMBL30279386 0.89 P2RX7 (0.48) SMN1; SMN2AKR1B1ALDH1A1P2RX7KMT2A
SCHEMBL10129825 0.86 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1P2RX7EGLN1KMT2A
SCHEMBL30279422 0.86 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1P2RX7EGLN1KMT2A
SCHEMBL23978742 0.85 SMN1; SMN2 (0.46) SMN1; SMN2AKR1B1ALDH1A1EGLN1KMT2A
SCHEMBL30279391 0.85 SMN1; SMN2 (0.46) SMN1; SMN2AKR1B1ALDH1A1EGLN1KMT2A

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 42 patents — showing the first 20. 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
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 — — US disclosed
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2019-05-09 — — US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 — — US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 — — US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 — — US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 — — US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 — — US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 — — US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 — — US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 — — US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 — — US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 — — US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 — — US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 — — US 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 (8 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 SMN1; SMN2 2217/4885AKR1B1 628/4885ALDH1A1 112/4885
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 SMN1; SMN2 3098/4885AKR1B1 3689/4885ALDH1A1 399/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 SMN1; SMN2 2217/4885AKR1B1 628/4885ALDH1A1 112/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 SMN1; SMN2 3098/4885AKR1B1 3689/4885ALDH1A1 399/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 SMN1; SMN2 2229/4885AKR1B1 631/4885ALDH1A1 119/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 SMN1; SMN2 2217/4885AKR1B1 628/4885ALDH1A1 112/4885
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 SMN1; SMN2 2217/4885AKR1B1 628/4885ALDH1A1 112/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 SMN1; SMN2 2288/4885AKR1B1 625/4885ALDH1A1 111/4885

“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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