SCHEMBL912778

SCHEMBL912778

O=[N+]([O-])c1ccc(Nc2ccc(F)cc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 1.00
KMT2A Q03164 9/20 1.00
ALOX12 P18054 1/20 1.00
MAPT P10636 7/20 0.72
LMNA P02545 1/20 0.72
RAB9A P51151 5/20 0.68
NPC1 O15118 3/20 0.68
PABPC1 P11940 1/20 0.64
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KDM4E B2RXH2 1/20 0.57
PKM P14618 2/20 0.53
HSPB1 P04792 1/20 0.52
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51

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
SCHEMBL5800553 0.84 MEN1 (0.73) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL10709186 0.84 MEN1 (0.73) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL6803769 0.84 MEN1 (0.73) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL28221070 0.84 MEN1 (0.72) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL913813 0.84 MEN1 (1.00) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL20796131 0.83 MEN1 (0.74) MEN1KMT2AALOX12MAPTLMNA
Methane SCHEMBL27598399 0.83 MEN1 (0.97) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL25826203 0.83 MEN1 (0.74) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL11711180 0.81 RAB9A (1.00) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL5797362 0.81 MEN1 (0.68) MEN1KMT2AALOX12MAPTLMNA

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-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2011-01-06 US disclosed
EP-2265574-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111280-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2009-09-11 WO 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-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER BRAF, RAF1, ARAF MEN1 1877/4885KMT2A 2059/4885ALOX12 4452/4885

“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.