SCHEMBL3166433

SCHEMBL3166433

COc1ccc(Nc2cc(Oc3ccc([N+](=O)[O-])cc3)ncn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MEN1 O00255 8/20 0.58
KMT2A Q03164 8/20 0.58
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
GSK3B P49841 1/20 0.48
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
TTBK1 Q5TCY1 1/20 0.47
TTBK2 Q6IQ55 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47

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
SCHEMBL4395583 0.94 NPC1 (0.55) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3260635 0.94 NPC1 (0.55) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL12664955 0.91 RAB9A (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4929503 0.89 KMT2A (0.58) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3172396 0.88 ALK (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1894480 0.88 MEN1 (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1898323 0.87 RAB9A (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4062637 0.85 RAB9A (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4345309 0.83 EGFR (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3182550 0.81 MEN1 (0.66) NPC1RAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652022-B2 N-(4-(4-(4-hydroxyphenylamino)-pyrimidin-6-yl)-oxyphenyl)-N'-(3-trifluoromethylphenyl)-urea; NOVARTIS AG (CH) 2010-01-26 US disclosed
EP-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 EP disclosed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 US disclosed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 EP disclosed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 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-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA NPC1 2696/4885RAB9A 1414/4885MEN1 3097/4885

“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.