SCHEMBL5827682

SCHEMBL5827682

O=[N+]([O-])c1cccc(C=Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALDH1A1 P00352 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
NFE2L2 Q16236 3/20 0.57
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
MITF O75030 1/20 0.50
XBP1 P17861 1/20 0.50
MDM2 Q00987 1/20 0.50
CYP19A1 P11511 1/20 0.49
FBP1 P09467 1/20 0.46
VCP P55072 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOB P27338 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
AMY1A P0DUB6 1/20 0.43

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
SCHEMBL5827681 1.00 MAPT (0.58) MAPTALDH1A1NPC1RAB9ANFE2L2
SCHEMBL26704592 0.81 KDM4E (0.44) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL1405312 0.75 NFE2L2 (1.00) MAPTALDH1A1NPC1RAB9ANFE2L2
SCHEMBL1405314 0.75 NFE2L2 (1.00) MAPTALDH1A1NPC1RAB9ANFE2L2
SCHEMBL4710212 0.74 RAB9A (1.00) MAPTALDH1A1NPC1RAB9ANFE2L2
SCHEMBL4710210 0.74 RAB9A (1.00) MAPTALDH1A1NPC1RAB9ANFE2L2
SCHEMBL15498134 0.73 NFE2L2 (0.89) MAPTALDH1A1NPC1RAB9ANFE2L2
SCHEMBL5202899 0.73 MAPT (0.51) MAPTRAB9ALMNACYP19A1MEN1
SCHEMBL174507 0.71 CYP11B1 (0.41) MAPTALDH1A1POLBL3MBTL1
SCHEMBL5827294 0.71 SIRT2 (0.42) ALDH1A1RAB9AHTTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026357-B2 Diphenylurea compounds LES LABORATOIRES SERVIER (FR) 2006-04-11 US disclosed
CN-1241916-C Novel acardite compound, its preparation method and medicinal composition containing said compound SERVIER LAB (FR) 2006-02-15 CN disclosed
EP-1170288-B9 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2005-01-26 EP disclosed
US-20040224993-A1 Diphenylurea compounds LAVIELLE GILBERT (FR) 2004-11-11 US disclosed
US-6784183-B2 ANTISEROTONINE AGENTS LES LABORATOIRES SERVIER (FR) 2004-08-31 US disclosed
EP-1170288-B1 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2004-08-11 EP disclosed
US-20020025965-A1 Antiserotonine agents ADIR ET COMPAGNIE (FR) 2002-02-28 US disclosed
EP-1170288-A2 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists LES LABORATOIRES SERVIER (FR) 2002-01-09 EP 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 (2 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-20020025965-A1 Antiserotonine agents HTR2C, HTR3C, HTR3A MAPT 4763/4885ALDH1A1 3386/4885NPC1 1974/4885
US-20040224993-A1 Diphenylurea compounds HTR2C, HTR2A, HTR1A MAPT 4195/4885ALDH1A1 387/4885NPC1 1584/4885

“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.