SCHEMBL13330237

SCHEMBL13330237

CN(C)c1ccc(/N=N/c2ccccc2[N+](=O)[O-])c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PTPN11 Q06124 4/20 0.47
CCNT1 O60563 1/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42

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
SCHEMBL3728602 0.81 MAPT (0.46) TDP1MEN1MAPTKMT2APOLB
SCHEMBL3728604 0.81 MAPT (0.46) TDP1MEN1MAPTKMT2APOLB
SCHEMBL5044863 0.81 MEN1 (0.64) TDP1MEN1MAPTKMT2APOLB
SCHEMBL5044866 0.81 MEN1 (0.64) TDP1MEN1MAPTKMT2APOLB
SCHEMBL9452106 0.78 TDP1 (0.55) TDP1MEN1MAPTKMT2AMAPK1
SCHEMBL12957569 0.78 CTSB (0.60) TDP1MEN1MAPTKMT2ANPC1
SCHEMBL6575346 0.78 NPC1 (0.54) TDP1MEN1MAPTKMT2AMAPK1
SCHEMBL6575341 0.78 NPC1 (0.54) TDP1MEN1MAPTKMT2AMAPK1
SCHEMBL17804072 0.75 KMT2A (0.54) TDP1MEN1MAPTKMT2APOLB
SCHEMBL3694623 0.75 MEN1 (0.73) TDP1MEN1MAPTKMT2APOLB

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-9362510-B2 Electroluminescent metal complexes with benzotriazoles BASF SE (DE) 2016-06-07 US disclosed
US-20100108994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES UDC IRELAND LIMITED (IE) 2010-05-06 US disclosed
WO-2008101842-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES BASF SE (CH) 2008-08-28 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-20100108994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES OCIAD1, OCIAD2, OXA1L TDP1 1996/4885MEN1 3762/4885MAPT 388/4885

“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.