SCHEMBL29628643

SCHEMBL29628643

O=C(O)c1cccc(-c2ccc(=O)[nH]c2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ LIG1 P18858 1/20 0.40
▸ DYRK1A Q13627 1/20 0.39
▸ HNF4A P41235 1/20 0.39
▸ PRKAB2 O43741 4/20 0.39
▸ PRKAG1 P54619 4/20 0.39
▸ PRKAA2 P54646 4/20 0.39
▸ PRKAA1 Q13131 4/20 0.39
▸ PRKAG3 Q9UGI9 4/20 0.39
▸ PRKAG2 Q9UGJ0 4/20 0.39
▸ PRKAB1 Q9Y478 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 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
SCHEMBL29746274 0.83 SLC6A3 (0.50) TSHRLMNAMAPT
SCHEMBL25233661 0.78 MGLL (0.48) DYRK1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2371284 0.77 HNF4A (0.63) TSHRHNF4APRKAB2PRKAG1PRKAA2
SCHEMBL19923193 0.76 TSHR (0.68) TSHRLIG1HNF4AALDH1A1L3MBTL1
SCHEMBL29628511 0.76 TSHR (0.46) TSHRHNF4A
SCHEMBL29746242 0.74 TSHR (0.41) TSHRDYRK1AHNF4APRKAB2PRKAG1
SCHEMBL17965677 0.74 TSHR (0.52) TSHRHNF4APRKAB2PRKAG1PRKAA2
SCHEMBL29746218 0.72 ALDH2 (0.44) TSHRLIG1HNF4AALDH1A1L3MBTL1
SCHEMBL18190663 0.72 GRIA1 (0.52) TSHR
SCHEMBL2574179 0.72 MAPT (0.50) TSHRHNF4APRKAB2PRKAG1PRKAA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997096-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2024-08-28 — — EP disclosed
US-20220242876-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-08-04 — — US disclosed
EP-3997096-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-05-18 — — EP 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 (1 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-20220242876-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP1A2 TSHR 2107/4885LIG1 2004/4885DYRK1A 4404/4885

“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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