SCHEMBL4254145

SCHEMBL4254145

COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.80
KMT2A Q03164 8/20 0.80
MAPT P10636 5/20 0.80
HPGD P15428 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
NPC1 O15118 3/20 0.79
RAB9A P51151 3/20 0.79
ALDH1A1 P00352 1/20 0.79
LMNA P02545 1/20 0.74
RXFP1 Q9HBX9 1/20 0.72
SETD7 Q8WTS6 1/20 0.72
POLB P06746 1/20 0.71
BLM P54132 1/20 0.71
GPR17 Q13304 1/20 0.67
NLRP3 Q96P20 1/20 0.67
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
MAPK1 P28482 1/20 0.65
HTT P42858 1/20 0.65

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
SCHEMBL1337428 0.95 MEN1 (0.76) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL1986154 0.88 KMT2A (0.74) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL9423144 0.88 MAPT (1.00) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL10943066 0.86 KMT2A (0.94) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL29396789 0.86 KMT2A (1.00) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL1337652 0.86 MAPT (0.77) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL31254103 0.85 KMT2A (0.87) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL28342284 0.85 KMT2A (0.87) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL30862297 0.85 RXFP1 (0.94) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4251968 0.85 RXFP1 (0.94) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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
EP-0620122-B1 Thermosensitive recording material NEW OJI PAPER CO LTD (JP) 1996-03-13 EP claimed
US-5446010-A Substrate sheet, thermosensitive colored image forming layer containing colorless dye precursor, binder, color developing agent having sulfonylureido group, aromatic amide sensitizer; storage stability NEW OJI PAPER CO., LTD. (JP) 1995-08-29 US claimed
EP-0620122-A1 Thermosensitive recording material NEW OJI PAPER CO., LTD. (JP) 1994-10-19 EP claimed
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-7541459-B2 Method of producing amide compound FUJIFILM CORPORATION (JP) 2009-06-02 US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0620122-B1 Thermosensitive recording material NEW OJI PAPER CO LTD (JP) 1996-03-13 EP disclosed
US-5446010-A Substrate sheet, thermosensitive colored image forming layer containing colorless dye precursor, binder, color developing agent having sulfonylureido group, aromatic amide sensitizer; storage stability NEW OJI PAPER CO., LTD. (JP) 1995-08-29 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed
EP-0620122-A1 Thermosensitive recording material NEW OJI PAPER CO., LTD. (JP) 1994-10-19 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 (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-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 MEN1 3325/4885KMT2A 2215/4885MAPT 2167/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 MEN1 1233/4885KMT2A 632/4885MAPT 759/4885

“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.