SCHEMBL11680975

SCHEMBL11680975

O=[N+]([O-])c1cc2cn[nH]c2cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
NOS1 P29475 4/20 0.59
CYP3A4 P08684 3/20 0.59
LMNA P02545 2/20 0.59
ALOX15 P16050 1/20 0.59
POLB P06746 1/20 0.59
MAOB P27338 1/20 0.59
CYP1A2 P05177 2/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
BLM P54132 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
THRB P10828 1/20 0.50
APEX1 P27695 1/20 0.50
NOS3 P29474 1/20 0.50
CYP2C19 P33261 1/20 0.50
NOS2 P35228 1/20 0.50

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
SCHEMBL29680531 0.87 NOS1 (0.54) MAPTNOS1CYP3A4LMNAALOX15
SCHEMBL1026662 0.87 NOS1 (0.54) MAPTNOS1CYP3A4LMNAALOX15
SCHEMBL31717179 0.86 NOS1 (0.53) MAPTNOS1CYP3A4LMNAALOX15
SCHEMBL3769121 0.86 NOS1 (0.53) MAPTNOS1CYP3A4LMNAALOX15
SCHEMBL2571492 0.86 NOS1 (0.53) MAPTNOS1CYP3A4LMNAALOX15
SCHEMBL16741277 0.86 CHEK1 (0.59) MAPTNOS1CYP3A4LMNAALOX15
SCHEMBL616791 0.86 NOS1 (0.53) MAPTNOS1CYP3A4LMNAALOX15
SCHEMBL1024276 0.86 NOS1 (0.53) MAPTNOS1CYP3A4LMNAALOX15
SCHEMBL15534879 0.86 NOS1 (0.53) MAPTNOS1CYP3A4LMNAALOX15
SCHEMBL29680257 0.86 NOS1 (0.53) MAPTNOS1CYP3A4LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmaceuticals (CN) 2024-01-18 US disclosed
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmaceuticals (CN) 2024-01-18 US disclosed
CN-117203198-A Compounds as PU.1 inhibitors 浙江星浩澎博医药有限公司 2023-12-08 CN disclosed
EP-4247805-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmceuticals (CN) 2023-09-27 EP disclosed
WO-2022105825-A1 COMPOUNDS AS PU. 1 INHIBITORS PEKING UNIVERSITY (CN) 2022-05-27 WO disclosed
EP-2532665-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XUANZHU PHARMA CO LTD (CN) 2016-09-07 EP disclosed
EP-2532665-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XUANZHU PHARMA CO LTD (CN) 2016-09-07 EP disclosed
US-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD. (CN) 2016-06-23 US disclosed
US-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD. (CN) 2016-06-23 US disclosed
US-9315513-B2 Benzimidazole derivatives and their pharmaceutical compositions and uses Xuanzhu Pharma Co., Ltd. (CN) 2016-04-19 US disclosed
US-9315513-B2 Benzimidazole derivatives and their pharmaceutical compositions and uses Xuanzhu Pharma Co., Ltd. (CN) 2016-04-19 US disclosed
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses Xuanzhu Pharma Co., Ltd. (CN) 2013-01-24 US disclosed
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses Xuanzhu Pharma Co., Ltd. (CN) 2013-01-24 US disclosed
EP-2532665-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2012-12-12 EP disclosed
EP-2532665-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2012-12-12 EP disclosed
CN-102712649-A Benzimidazole derivatives and pharmaceutical compositions and uses thereof KBP BIOSCIENCES CO LTD 2012-10-03 CN disclosed
WO-2011095057-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 山东轩竹医药科技有限公司 (CN) 2011-08-11 WO disclosed
US-4013404-A Method of dyeing hair with indolines, indoles and indazoles AMERICAN CYANAMID COMPANY (US) 1977-03-22 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 (3 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-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES F12, HRH2, H1-3 MAPT 4289/4885NOS1 1130/4885CYP3A4 47/4885
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS FLI1, MCL1, SP1 MAPT 4351/4885NOS1 567/4885CYP3A4 3969/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 MAPT 4289/4885NOS1 1130/4885CYP3A4 47/4885

“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.