SCHEMBL16657362

SCHEMBL16657362

O=[N+]([O-])c1cnccc1Nc1ccc2ncccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
HTT P42858 3/20 0.57
RAB9A P51151 1/20 0.57
GAA P10253 1/20 0.54
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK8 P45983 1/20 0.43
GRM4 Q14833 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LRRK2 Q5S007 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
SCHEMBL28395190 0.79 MAPT (0.54) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL16657361 0.78 EGFR (0.51) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL16036142 0.77 ALDH1A1 (0.80) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL16012092 0.76 PIN1 (0.64) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL16014444 0.76 EGFR (0.50) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL3952093 0.76 ALDH1A1 (1.00) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL16038450 0.76 ALDH1A1 (0.68) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL2716640 0.76 SYK (0.58) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL8548496 0.76 ALDH1A1 (0.57) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL16657372 0.75 ALDH1A1 (0.82) ALDH1A1HTTRAB9AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845321-B2 1,3-dihydro-2H-benzimidazol-2-one derivatives substituted with heterocycles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2017-12-19 US disclosed
US-9845321-B2 1,3-dihydro-2H-benzimidazol-2-one derivatives substituted with heterocycles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2017-12-19 US disclosed
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 US disclosed
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 US disclosed
US-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-18 US disclosed
US-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-18 US disclosed
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSEN R&D IRELAND (US) 2015-04-23 US disclosed
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSEN R&D IRELAND (US) 2015-04-23 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-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, SARS1 ALDH1A1 2162/4885HTT 3107/4885RAB9A 1982/4885
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ ALDH1A1 2851/4885HTT 2075/4885RAB9A 1765/4885
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ ALDH1A1 2851/4885HTT 2075/4885RAB9A 1765/4885

“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.