SCHEMBL21900140

SCHEMBL21900140

O=C(Cc1cc(Cl)ccc1Cl)Nc1nnc(NC2CCN(c3cccnn3)CC2)s1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 19/20 0.63
▸ KCNH2 Q12809 1/20 0.57
▸ SLC6A2 P23975 1/20 0.49
▸ TACR1 P25103 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49

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
SCHEMBL21900141 0.92 GLS (0.62) GLSKCNH2
SCHEMBL22193574 0.83 GLS (0.89) GLSKCNH2SLC6A2TACR1OPRM1
SCHEMBL21900338 0.82 GLS (0.64) GLSKCNH2SLC6A2TACR1OPRM1
SCHEMBL22193563 0.80 GLS (0.75) GLSKCNH2SLC6A2TACR1OPRM1
SCHEMBL21900361 0.80 GLS (0.70) GLSKCNH2SLC6A2TACR1OPRM1
SCHEMBL21900349 0.80 GLS (0.58) GLSKCNH2
SCHEMBL24109070 0.79 GLS (0.45) GLSKCNH2
SCHEMBL21900811 0.79 GLS (0.56) GLSKCNH2SLC6A2TACR1OPRM1
SCHEMBL24108984 0.78 GLS (0.60) GLSKCNH2SLC6A2TACR1OPRM1
SCHEMBL22193575 0.78 GLS (0.72) GLSKCNH2

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-11254666-B2 Compound as GLS1 inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-02-22 — — US disclosed
EP-3640250-B1 COMPOUND AS GLS1 INHIBITOR MEDSHINE DISCOVERY INC (CN) 2021-12-15 — — EP disclosed
US-20200216436-A1 COMPOUND AS GLS1 INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2020-07-09 — — US disclosed
EP-3640250-A1 COMPOUND AS GLS1 INHIBITOR Medshine Discovery Inc. (CN) 2020-04-22 — — 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 (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-11254666-B2 Compound as GLS1 inhibitor GLS, GLS2, GLB1 GLS 1/4885KCNH2 701/4885SLC6A2 312/4885
US-20200216436-A1 COMPOUND AS GLS1 INHIBITOR GLS, GLS2, GLB1 GLS 1/4885KCNH2 701/4885SLC6A2 312/4885

“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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