SCHEMBL4217545

SCHEMBL4217545

CCn1ncc(Br)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
CFTR P13569 2/20 0.46
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.42
IDO1 P14902 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA4 P43681 1/20 0.42
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
GABRP O00591 1/20 0.40

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
SCHEMBL4310578 0.84 RAB9A (0.49) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL31276114 0.74 MAPT (0.62) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL5947079 0.73 HTR2A (0.53) ALDH1A1SMN1; SMN2LMNA
SCHEMBL24893277 0.72 HTR2A (0.52) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL4215072 0.72 CFTR (0.49) RAB9ACFTRALDH1A1NPC1MAPT
SCHEMBL6163228 0.72 MET (0.40) RAB9ACFTRALDH1A1NPC1MAPT
SCHEMBL6738366 0.68 TSHR (0.76) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL5946668 0.68 CYP19A1 (0.46) RAB9AALDH1A1MAPTTSHR
SCHEMBL28920240 0.68 RAB9A (0.44) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL6730727 0.68 CFTR (0.47) RAB9ACFTRALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-15 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-20090018156-A1 Pyrrolo [2,3,B] Pyridine Derivatives Useful As RAF Kinase Inhibitors BRAF, RAF1, ARAF RAB9A 882/4885CFTR 3632/4885ALDH1A1 3294/4885

“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.