SCHEMBL11547723

SCHEMBL11547723

Cc1nc(C(C)C)cc(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ GSK3B P49841 2/20 0.44
▸ PDE2A O00408 10/20 0.44
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ BLM P54132 1/20 0.38

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
SCHEMBL25164972 0.82 SMN1; SMN2 (0.47) SMN1; SMN2GSK3BPDE2ASLC6A3
SCHEMBL31231913 0.79 CYP3A4 (0.57) NOS3NOS1NOS2MEN1ALDH1A1
SCHEMBL12566436 0.79 GSK3B (0.53) GSK3BPDE2ANOS3NOS1NOS2
SCHEMBL25409411 0.78 KDM5B (0.38) SMN1; SMN2GSK3BNOS3NOS1NOS2
SCHEMBL5935763 0.73 — —
SCHEMBL24729665 0.71 MAPT (0.50) NOS3NOS1NOS2KDM5BMEN1
SCHEMBL24066325 0.71 TSHR (0.38) SMN1; SMN2GSK3BPDE2ANOS3NOS1
SCHEMBL13375700 0.70 — —
SCHEMBL18689667 0.70 — —
SCHEMBL11937375 0.70 — —

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
US-20230227474-A1 COMPOSITIONS AND METHODS FOR CORRECTION OF ABERRANT SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2023-07-20 — — US disclosed
US-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 — — US disclosed
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 — — US disclosed
US-8362068-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-01-29 — — US disclosed
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 — — US disclosed
US-4163848-A Process for the production of 2-alkyl- or cycloalkyl-4-methyl-6-hydroxypyrimidines CIBA-GEIGY CORPORATION (US) 1979-08-07 — — 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 (3 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-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 SMN1; SMN2 4507/4885GSK3B 1828/4885PDE2A 3846/4885
US-20230227474-A1 COMPOSITIONS AND METHODS FOR CORRECTION OF ABERRANT SPLICING RBM17, SF3B1, SF3B5 SMN1; SMN2 88/4885GSK3B 2913/4885PDE2A 2208/4885
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES TNKS, TANK, TBKBP1 SMN1; SMN2 2378/4885GSK3B 140/4885PDE2A 1489/4885

“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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