SCHEMBL5355306

SCHEMBL5355306

Cc1nn(C)c2c(Nc3ccc(S(C)(=O)=O)cc3)nc(-c3ccc(F)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.49
PTGS2 P35354 8/20 0.46
CA12 O43570 1/20 0.40
ABL1 P00519 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
Hydrochloric Acid SCHEMBL5369394 0.90 CA2 (0.51) KDM1APTGS2CA12ABL1CA1
Hydrochloric Acid SCHEMBL5372894 0.89 ABL1 (0.39) KDM1APTGS2CA12ABL1CA1
Hydrochloric Acid SCHEMBL5381404 0.88 SMN1; SMN2 (0.41) KDM1ACA12ABL1CA1CA2
SCHEMBL5367582 0.83 KDM1A (0.44) KDM1A
SCHEMBL27695119 0.83 ABCG2 (0.47) KDM1A
Hydrochloric Acid SCHEMBL5362034 0.82 KDM1A (0.45) KDM1A
Hydrochloric Acid SCHEMBL5445815 0.81 MEN1 (0.49) KDM1A
Hydrochloric Acid SCHEMBL5367305 0.80 CA2 (0.52) KDM1APTGS2CA12ABL1CA1
SCHEMBL27715058 0.80 CHRNA7 (0.47) ABL1
SCHEMBL27715036 0.80 TNF (0.43) KDM1A

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
CN-101107250-A Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS INC (US) 2008-01-16 CN claimed
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP claimed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO claimed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 US claimed
CN-101107250-A Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS INC (US) 2008-01-16 CN disclosed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 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 (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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG KDM1A 2829/4885PTGS2 334/4885CA12 917/4885

“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.