SCHEMBL8711539

SCHEMBL8711539

O=C(Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.71
RAB9A P51151 7/20 0.71
MEN1 O00255 6/20 0.71
NPC1 O15118 6/20 0.71
MITF O75030 3/20 0.71
POLB P06746 2/20 0.71
MAPT P10636 7/20 0.65
MAPK1 P28482 1/20 0.65
PTPN1 P18031 1/20 0.65
HTT P42858 1/20 0.63
ATM Q13315 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 2/20 0.60
ALDH1A1 P00352 1/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.60
GAA P10253 1/20 0.59

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
SCHEMBL7142315 1.00 KMT2A (0.71) KMT2ARAB9AMEN1NPC1MITF
SCHEMBL8571158 0.93 RAB9A (0.62) KMT2ARAB9AMEN1NPC1MITF
SCHEMBL8572381 0.92 KMT2A (0.83) KMT2ARAB9AMEN1NPC1MITF
SCHEMBL9134339 0.92 KMT2A (0.83) KMT2ARAB9AMEN1NPC1MITF
SCHEMBL23898948 0.92 KMT2A (0.83) KMT2ARAB9AMEN1NPC1MITF
SCHEMBL20764540 0.87 KMT2A (0.71) KMT2ARAB9AMEN1NPC1MITF
SCHEMBL16367722 0.87 KMT2A (0.76) KMT2ARAB9AMEN1NPC1MITF
SCHEMBL24213121 0.87 KMT2A (0.76) KMT2ARAB9AMEN1NPC1MITF
SCHEMBL674700 0.85 KMT2A (0.73) KMT2ARAB9AMEN1NPC1MITF
SCHEMBL7696438 0.85 KMT2A (0.79) KMT2ARAB9AMEN1NPC1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912563-B Benzo five-membered nitrogen heterocyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2025-05-27 CN disclosed
US-20230219925-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Guangzhou Institutes of Biomedicine and Health Chinese Academy of Sciences (CN) 2023-07-13 US disclosed
US-20230219925-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Guangzhou Institutes of Biomedicine and Health Chinese Academy of Sciences (CN) 2023-07-13 US disclosed
US-20230219925-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Guangzhou Institutes of Biomedicine and Health Chinese Academy of Sciences (CN) 2023-07-13 US disclosed
WO-2022007168-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 中国科学院广州生物医药与健康研究院 2022-01-13 WO disclosed
CN-113912563-A Benzo five-membered nitrogen heterocyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2022-01-11 CN disclosed
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 US disclosed
CN-105916841-A Functionalised and substituted indoles as anti-cancer agents 诺沃根公司 2016-08-31 CN disclosed
US-9187467-B2 2-phenyl benzothiazole linked imidazole compounds as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-17 US disclosed
US-20150141657-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-21 US disclosed
EP-2556072-B1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-05-21 EP disclosed
EP-2556072-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-02-13 EP disclosed
WO-2012110959-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-23 WO disclosed
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 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 (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-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 KMT2A 2215/4885RAB9A 3741/4885MEN1 3325/4885
US-20150141657-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF NFE2L2, TPT1, CCNT1 KMT2A 305/4885RAB9A 2123/4885MEN1 2781/4885
US-20230219925-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF RORC, RORB, RORA KMT2A 3561/4885RAB9A 3032/4885MEN1 2520/4885

“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.