SCHEMBL13291982

SCHEMBL13291982

CC1Cc2ccc(-c3ccsc3)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.57
KCNH2 Q12809 1/20 0.49
PRMT6 Q96LA8 1/20 0.41
CYP2A6 P11509 4/20 0.39
CYP2E1 P05181 1/20 0.38
CYP2B6 P20813 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
ERN1 O75460 1/20 0.38
PTPRC P08575 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
BACE1 P56817 1/20 0.37
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DRD2 P14416 3/20 0.36
HTR6 P50406 1/20 0.36
DRD3 P35462 1/20 0.36
PDK2 Q15119 1/20 0.35

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
SCHEMBL13291984 0.75 PDE3B (0.44) GRIA2PRMT6CYP2B6
SCHEMBL3253327 0.73 GRIA2 (1.00) GRIA2
SCHEMBL31070541 0.71 KCNH2 (0.47) GRIA2KCNH2PRMT6CYP2A6CYP2E1
SCHEMBL13291981 0.71 KCNH2 (0.50) KCNH2PRMT6ERN1PDK2
SCHEMBL13291980 0.69 ERN1 (0.38) ERN1HRH1HRH4HRH3DRD2
SCHEMBL4350314 0.68 CYP2A6 (0.68) KCNH2PRMT6CYP2A6CYP2E1CYP2B6
SCHEMBL27989815 0.67 CYP2A6 (0.74) KCNH2CYP2A6CYP2E1CYP2B6ACMSD
SCHEMBL2125063 0.67 CYP2A6 (0.72) KCNH2PRMT6CYP2A6CYP2E1CYP2B6
SCHEMBL23519469 0.67 KDM1A (0.50) DRD2PDK2
SCHEMBL13297273 0.67 HSD17B3 (0.44) GRIA2

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
US-7745462-B2 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2010-06-29 US disclosed
US-7745462-B2 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2010-06-29 US disclosed
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 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-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 GRIA2 148/4885KCNH2 349/4885PRMT6 2951/4885

“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.