SCHEMBL10657341

SCHEMBL10657341

CCc1ccc2nccc(O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
KIT P10721 1/20 0.42
CDK8 P49336 1/20 0.42
ACVR1 Q04771 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAD52 P43351 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
SLC22A12 Q96S37 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 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
SCHEMBL11061990 0.86 TRPA1 (0.47) TRPA1NOS3NOS1NOS2ACVR1
SCHEMBL27469327 0.81 SLC22A12 (0.39) NOS3NOS1NOS2KITCDK8
SCHEMBL19506247 0.80 SMN1; SMN2 (0.49) NOS3NOS1NOS2KITCDK8
SCHEMBL26325454 0.80 NOS3 (0.44) NOS3NOS1NOS2KITCDK8
SCHEMBL12044447 0.79 NR4A2 (0.56) NOS3NOS1NOS2KITCDK8
SCHEMBL14690592 0.79 NOS3 (0.43) NOS3NOS1NOS2KITCDK8
SCHEMBL26349519 0.79 NOS3 (0.43) TRPA1NOS3NOS1NOS2KIT
SCHEMBL24368246 0.78 KDM4E (0.51) ALDH1A1KMT2AMEN1SLC22A12MAPT
SCHEMBL3862227 0.78 IDH1 (0.51) CDK8SLC22A12KDM4E
SCHEMBL27907349 0.78 SLC22A12 (0.39) KITCDK8ACVR1CLK4MAPKAPK2

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-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
CN-1835944-A Quinolyl amide derivatives as CCR-5 antagonists SCHERING AG (DE) 2006-09-20 CN disclosed
EP-0168309-B1 ISOXAZOLOQUINOLINONE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1988-03-09 EP disclosed
EP-0168309-A1 Isoxazoloquinolinone derivatives, process and intermediates for their preparation, use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1986-01-15 EP 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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 TRPA1 9/4885NOS3 2426/4885NOS1 2789/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TRPA1 1859/4885NOS3 3565/4885NOS1 3670/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP TRPA1 1604/4885NOS3 3384/4885NOS1 3648/4885

“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.