SCHEMBL509614

SCHEMBL509614

COc1cnn(C)c(=O)c1-c1c(C)cc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.41
ITGA4 P13612 8/20 0.40
ITGB7 P26010 8/20 0.40
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ITGB1 P05556 2/20 0.36

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
SCHEMBL513273 0.81 ALDH1A1 (0.40) ITGA4ITGB7RAB9AALDH1A1ITGB1
SCHEMBL28615978 0.78 ALDH1A1 (0.38) ITGA4ITGB7RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8280366 0.78 ITGA4 (0.54) ITGA4ITGB7RAB9ASMN1; SMN2L3MBTL1
SCHEMBL510385 0.78 ACLY (0.35) CRHR1ITGA4ITGB7ALDH1A1ITGB1
SCHEMBL919618 0.76 L3MBTL1 (0.40) ITGA4ITGB7RAB9ASMN1; SMN2L3MBTL1
SCHEMBL22016864 0.74 ALDH1A1 (0.41) ITGA4ITGB7RAB9ASMN1; SMN2L3MBTL1
SCHEMBL21835475 0.74 MAPT (0.45) ITGA4ITGB7RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29384915 0.74 MAPT (0.45) ITGA4ITGB7RAB9ASMN1; SMN2ALDH1A1
SCHEMBL919619 0.71 ITGA4 (0.49) ITGA4ITGB7ITGB1
SCHEMBL15344226 0.70 KDM4E (0.38) CRHR1ALDH1A1

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-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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 (2 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-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 CRHR1 667/4885ITGA4 2718/4885ITGB7 1974/4885
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR CRHR1 4613/4885ITGA4 1752/4885ITGB7 1518/4885

“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.