SCHEMBL13291981

SCHEMBL13291981

CC1Cc2ccc(-c3cccs3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
LTA4H P09960 1/20 0.43
ADORA1 P30542 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
ALOX5 P09917 2/20 0.41
SRD5A1 P18405 1/20 0.40
ERN1 O75460 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
PDK2 Q15119 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 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
SCHEMBL13291838 0.80 KCNH2 (0.46) KCNH2LTA4HADORA1PRMT6ALOX5
SCHEMBL2238249 0.77 ADORA1 (0.55) KCNH2LTA4HADORA1PRMT6ALOX5
SCHEMBL31358816 0.77 ADORA1 (0.55) KCNH2LTA4HADORA1PRMT6ALOX5
SCHEMBL3252181 0.74 GRIA2 (0.65)
SCHEMBL10410607 0.74 KCNH2 (0.50) KCNH2LTA4HADORA1PRMT6SRD5A1
SCHEMBL1926437 0.74 KCNH2 (0.50) KCNH2LTA4HADORA1PRMT6SRD5A1
SCHEMBL338810 0.73 LTA4H (0.70) KCNH2LTA4HPRMT6ERN1LPL
SCHEMBL13291990 0.72 APP (0.54) ERN1PTGS1PTGS2HDAC2
SCHEMBL1334921 0.71 KCNH2 (0.59) KCNH2LTA4HADORA1PRMT6ALOX5
SCHEMBL13291982 0.71 GRIA2 (0.57) KCNH2PRMT6ERN1PDK2

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 KCNH2 349/4885LTA4H 799/4885ADORA1 202/4885

“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.