SCHEMBL5952257

SCHEMBL5952257

COc1ccccc1-c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.58
MAPT P10636 4/20 0.58
POLB P06746 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 2/20 0.53
PTPRC P08575 1/20 0.49
PTPN1 P18031 1/20 0.49
HTT P42858 1/20 0.49
S1PR1 P21453 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
GALR3 O60755 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL29655065 1.00 TDP1 (0.58) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL16816932 0.88 TDP1 (0.62) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL29655063 0.88 TDP1 (0.54) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL27986575 0.87 ALDH1A1 (0.57) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL29655075 0.85 MAPT (0.54) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL29655165 0.85 TDP1 (0.54) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL29655044 0.84 MAPT (0.50) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL29655083 0.83 TDP1 (0.55) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL4405765 0.83 ALDH1A1 (0.53) TDP1MAPTPOLBALDH1A1PTPRC
SCHEMBL11900139 0.82 TDP1 (0.54) TDP1MAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 CN disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 TDP1 2680/4885MAPT 3479/4885POLB 2261/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A TDP1 1498/4885MAPT 4186/4885POLB 2841/4885

“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.