SCHEMBL919618

SCHEMBL919618

COc1cnn(C)c(=O)c1-c1c(C)ccc(Br)c1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ITGA4 P13612 14/20 0.39
ITGB7 P26010 14/20 0.39
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
ITGB1 P05556 4/20 0.35
JAK2 O60674 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL3786832 0.81 CUL4A (0.35) SMN1; SMN2ITGA4ITGB7ALDH1A1ITGB1
SCHEMBL919079 0.81 BRD9 (0.34) RAB9ASMN1; SMN2ITGA4ITGB7ALDH1A1
SCHEMBL21835475 0.76 MAPT (0.45) RAB9ASMN1; SMN2ITGA4ITGB7ALDH1A1
SCHEMBL29384915 0.76 MAPT (0.45) RAB9ASMN1; SMN2ITGA4ITGB7ALDH1A1
SCHEMBL513273 0.76 ALDH1A1 (0.40) RAB9AITGA4ITGB7ALDH1A1ITGB1
SCHEMBL509614 0.76 CRHR1 (0.41) L3MBTL1RAB9ASMN1; SMN2ITGA4ITGB7
SCHEMBL28615978 0.75 ALDH1A1 (0.38) L3MBTL1RAB9ASMN1; SMN2ITGA4ITGB7
SCHEMBL8280366 0.73 ITGA4 (0.54) L3MBTL1RAB9ASMN1; SMN2ITGA4ITGB7
SCHEMBL22016864 0.72 ALDH1A1 (0.41) L3MBTL1RAB9ASMN1; SMN2ITGA4ITGB7
SCHEMBL4498149 0.71 RAB9A (0.55) L3MBTL1RAB9ASMN1; SMN2ITGA4ITGB7

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-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-01-06 US disclosed
EP-2204366-A1 Herbicidal and insecticidal phenyl-substituted pyridazinones Bayer CropScience AG (DE) 2010-07-07 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 (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-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO L3MBTL1 915/4885RAB9A 3092/4885SMN1; SMN2 3492/4885

“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.