SCHEMBL874113

SCHEMBL874113

CCCC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.73
KMT2A Q03164 7/20 0.73
L3MBTL1 Q9Y468 1/20 0.71
ALDH1A1 P00352 5/20 0.69
HTT P42858 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
MAPT P10636 4/20 0.65
POLB P06746 2/20 0.65
DDX3X O00571 1/20 0.65
CTDSP1 Q9GZU7 1/20 0.65
GAA P10253 1/20 0.64
ALOX12 P18054 1/20 0.63
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62

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
SCHEMBL11756426 0.92 MEN1 (0.80) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL30555757 0.89 MEN1 (0.72) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL30020550 0.89 MEN1 (0.72) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL9167675 0.89 MEN1 (0.72) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL4749088 0.88 L3MBTL1 (0.71) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL5213509 0.88 CYP1A2 (0.78) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL30957465 0.88 CYP1A2 (0.78) MEN1KMT2AL3MBTL1ALDH1A1HTT
Hydrochloric Acid SCHEMBL27290577 0.87 CYP1A2 (0.76) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL32664264 0.87 L3MBTL1 (0.82) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL26496469 0.87 L3MBTL1 (0.82) MEN1KMT2AL3MBTL1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-20130331411-A1 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2013-12-12 US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed
EP-0425345-B1 Keratinic fibres dyeing process with amino-indoles, composition and use devices OREAL (FR) 1994-09-14 EP disclosed
US-5254135-A Applying indole dye, developing with oxidizing system L'OREAL (FR) 1993-10-19 US disclosed
CN-1051669-A With the method for amino indole dyeing keratinous fibres, compositions and facilities and equipments OREAL (FR) 1991-05-29 CN disclosed
EP-0425345-A1 Keratinic fibres dyeing process with amino-indoles, composition and use devices L'OREAL (FR) 1991-05-02 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 (1 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-20130331411-A1 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 MEN1 1236/4885KMT2A 3844/4885L3MBTL1 3583/4885

“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.