SCHEMBL12225596

SCHEMBL12225596

O=COc1cnc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SCN9A Q15858 3/20 0.35
ALDH1A1 P00352 6/20 0.34
NPSR1 Q6W5P4 4/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
S1PR4 O95977 1/20 0.30

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
SCHEMBL25937577 0.81 POLB (0.33) SCN9APOLB
SCHEMBL801407 0.75 VCAM1 (0.36) ALDH1A1NPSR1LMNAMAPT
SCHEMBL3225876 0.73 ALDH1A1 (0.38) CHRNB2CHRNA4ALDH1A1NPSR1LMNA
SCHEMBL5942319 0.72 CHRNB2 (0.41) CHRNB2CHRNA4ALDH1A1NPSR1
SCHEMBL28890814 0.71
SCHEMBL28207671 0.70 ALDH1A1 (0.46) ALDH1A1POLBMAPTTDP1
SCHEMBL14720949 0.69 CHRNB2 (0.45) CHRNB2CHRNA4SCN9A
SCHEMBL12225600 0.69 CHRNA3 (0.41) CHRNB2CHRNA4
SCHEMBL15918740 0.69 ALDH1A1 (0.50) CHRNB2CHRNA4ALDH1A1NPSR1LMNA
SCHEMBL27919624 0.69 CHRNB2 (0.43) CHRNB2CHRNA4MAPT

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-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 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-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors REN, JAK2, ABL1 CHRNB2 4812/4885CHRNA4 4763/4885SCN9A 4668/4885

“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.