SCHEMBL4364733

SCHEMBL4364733

Cc1ccc2c(O)cnc(N)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
ALOX15 P16050 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NOS3 P29474 3/20 0.39
NOS2 P35228 3/20 0.39
NOS1 P29475 2/20 0.39
TRPA1 O75762 1/20 0.39
FYN P06241 1/20 0.38
TP53 P04637 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 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
SCHEMBL15676840 0.77 NOS3 (0.42) HSD17B10ALOX15ALDH1A1NOS3NOS2
SCHEMBL14924247 0.76 TRPA1 (0.40) HSD17B10ALOX15ALDH1A1TRPA1TP53
SCHEMBL18024311 0.74 KMT2A (0.39) HSD17B10ALOX15ALDH1A1NOS3NOS2
SCHEMBL24493116 0.74 DYRK1A (0.43) HSD17B10ALOX15ALDH1A1NOS3NOS2
SCHEMBL16306935 0.74 NOS3 (0.39) HSD17B10ALOX15ALDH1A1NOS3NOS2
SCHEMBL1133886 0.74 KDM4E (0.48) ALOX15NOS3NOS2NOS1IDO1
SCHEMBL8268452 0.71 KDM4E (0.50) HSD17B10ALOX15ALDH1A1NOS3NOS2
SCHEMBL11428015 0.71 TRPA1 (0.59) HSD17B10ALOX15ALDH1A1TRPA1TP53
SCHEMBL12490196 0.68 KDM4E (0.44) HSD17B10ALOX15ALDH1A1NOS3NOS2
SCHEMBL12490217 0.68 NOS3 (0.41) HSD17B10ALOX15ALDH1A1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618985-B2 Isoquinoline derivatives N.V. ORGANON (NL) 2009-11-17 US disclosed
US-20070135479-A1 Isoquinoline derivatives N.V. ORGANON (NL) 2007-06-14 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-20070135479-A1 Isoquinoline derivatives ROCK1, ROCK2, RHOA HSD17B10 757/4885ALOX15 2077/4885ALDH1A1 2436/4885

“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.