SCHEMBL4929503

SCHEMBL4929503

COc1cccc(Nc2cc(Oc3ccc([N+](=O)[O-])cc3)ncn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
EGFR P00533 6/20 0.54
ERBB3 P21860 5/20 0.54
TNNI3K Q59H18 1/20 0.50
KDR P35968 1/20 0.49
ERBB2 P04626 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 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
SCHEMBL3166433 0.89 NPC1 (0.60) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL1894480 0.86 MEN1 (0.52) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL12262450 0.86 ALDH1A1 (0.53) KMT2AMEN1RAB9AEGFRTNNI3K
SCHEMBL3166827 0.86 EGFR (0.49) KMT2AMEN1RAB9AEGFRTNNI3K
SCHEMBL4395583 0.84 NPC1 (0.55) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL3260635 0.84 NPC1 (0.55) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL4935146 0.83 MEN1 (0.64) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL12664955 0.82 RAB9A (0.48) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL4345309 0.81 EGFR (0.47) KMT2AMEN1NPC1RAB9AEGFR
SCHEMBL3172396 0.80 ALK (0.50) KMT2AMEN1NPC1RAB9AEGFR

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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA KMT2A 1081/4885MEN1 1829/4885NPC1 3477/4885

“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.