SCHEMBL13709178

SCHEMBL13709178

CCn1cc(C(C)C)nc1C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL13384405 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL22058309 0.79 SMN1; SMN2 (0.31) ALDH1A1
SCHEMBL25159753 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22427960 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22849645 0.75
SCHEMBL23566142 0.74 TNF (0.41) ALDH1A1
SCHEMBL4334641 0.73
SCHEMBL4100466 0.71 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL28327462 0.71 ALDH1A1 (0.50) ALDH1A1NOS3NOS2
SCHEMBL21739040 0.71 DGAT1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043400-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2023-02-09 US disclosed
WO-2022015975-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 WO disclosed
EP-3429355-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2020-02-05 EP disclosed
US-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 US disclosed
US-7582634-B2 7-substituted imidazo[4,5-c]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-09-01 US disclosed
US-7538113-B2 4-substituted imidazo[4,5-c]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-26 US disclosed
US-7534796-B2 Imidazo[4,5-b]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-19 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 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-20230043400-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB ALDH1A1 4405/4885NOS3 2373/4885NOS1 3430/4885

“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.