SCHEMBL309800

SCHEMBL309800

COc1cc(C(=O)NN)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
AR P10275 1/20 0.53
PELP1 Q8IZL8 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MYC P01106 1/20 0.51
MAX P61244 1/20 0.51
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABCB1 P08183 1/20 0.49
PRMT5 O14744 1/20 0.49

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
SCHEMBL3801116 0.87 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRAR
SCHEMBL30871334 0.87 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRAR
SCHEMBL3107502 0.86 PRMT5 (0.56) ALDH1A1TDP1CYP3A4TSHRAR
SCHEMBL15507169 0.86 GAA (0.56) ALDH1A1TDP1CYP3A4ARPELP1
SCHEMBL6990289 0.84 MAPT (0.53) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL359110 0.83 PRMT5 (0.60) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL310574 0.83 VCAM1 (0.58) ALDH1A1TDP1CYP3A4TSHRAR
SCHEMBL223645 0.83 PARP1 (0.55) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL29689258 0.83 PARP1 (0.55) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL15880646 0.82 HTT (0.52) ALDH1A1TDP1CYP3A4TSHRAR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047779-B Dihydropteridinone derivatives containing benzobisheteroaryl and use thereof 沈阳药科大学 2025-02-11 CN disclosed
CN-118047779-A Dihydropteridinone derivatives containing benzobisheteroaryl and use thereof 沈阳药科大学 2024-05-17 CN disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 US disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 US disclosed
EP-3915986-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Voronoi Inc. (KR) 2021-12-01 EP disclosed
CN-113574057-A Heteroaryl derivatives and pharmaceutical compositions containing the same as active ingredient 株式会社沃若诺伊 2021-10-29 CN disclosed
CN-112079744-B Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor 湖南大学 2021-07-30 CN disclosed
CN-112079744-A Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor 湖南大学 2020-12-15 CN disclosed
WO-2020185044-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 보로노이 2020-09-17 WO disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20070021474-A1 Heterocyclically Substituted Benzoylureas, Process For Their Preparation and Their Use as Pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-25 US disclosed
US-7138414-B2 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-21 US disclosed
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-05 US 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 (5 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885TDP1 1064/4885CYP3A4 1025/4885
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT TTK, TTBK1, TTBK2 ALDH1A1 3055/4885TDP1 1109/4885CYP3A4 1966/4885
US-20070021474-A1 Heterocyclically Substituted Benzoylureas, Process For Their Preparation and Their Use as Pharmaceuticals SLC5A2, CYP1A2, HBB ALDH1A1 435/4885TDP1 3078/4885CYP3A4 12/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885TDP1 1064/4885CYP3A4 1025/4885
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SLC5A2, CYP1B1, CYP2C19 ALDH1A1 259/4885TDP1 2188/4885CYP3A4 11/4885

“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.