SCHEMBL6789579

SCHEMBL6789579

CC(=O)Nc1cccc([N+](=O)[O-])c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.68
LMNA P02545 2/20 0.67
ALDH1A1 P00352 4/20 0.65
CYP2C9 P11712 3/20 0.65
CYP2C19 P33261 3/20 0.65
GAA P10253 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 1/20 0.62
MAPK1 P28482 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 2/20 0.60
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
TAS1R2 Q8TE23 1/20 0.60
TDP1 Q9NUW8 1/20 0.58
BLM P54132 1/20 0.58
PKM P14618 1/20 0.56
CYP2D6 P10635 2/20 0.55

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
Acetic Acid SCHEMBL29589279 0.97 POLB (0.69) POLBLMNAALDH1A1CYP2C9CYP2C19
Acetic Acid SCHEMBL28756645 0.97 POLB (0.69) POLBLMNAALDH1A1CYP2C9CYP2C19
Sulfuric Acid SCHEMBL28756502 0.91 POLB (0.63) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL11551428 0.88 POLB (0.75) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL11325469 0.88 LMNA (0.83) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL4028956 0.85 POLB (0.71) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL7123707 0.85 NPSR1 (0.55) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL30539486 0.85 NPSR1 (0.55) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL2766319 0.84 POLB (0.62) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL733777 0.84 KMT2A (0.69) ALDH1A1CYP2C9CYP2C19GAANPC1

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
CN-103420895-A Preparation method of 4-aminoindole ASCEPION PHARMACEUTICALS INC 2013-12-04 CN claimed
CN-103420895-A Preparation method of 4-aminoindole ASCEPION PHARMACEUTICALS INC 2013-12-04 CN disclosed
US-6747051-B2 BLADDER UROGENITAL DISORDERS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-08 US disclosed
US-20030158420-A1 m-Amino-phenylimino-imidazolidine derivatives for treaing urinary incontinence BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2003-08-21 US disclosed
US-6602897-B2 For example, 2-((2-bromo-3-chloro-5-dimethylamino-6-methylphenyl)imino)imid azolidine BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-05 US disclosed
EP-1328517-A2 NOVEL M-AMINO-PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE Boehringer Ingelheim Pharma KG (DE) 2003-07-23 EP disclosed
US-20020161031-A1 m-amino-phenylimino-imidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-31 US disclosed
WO-2002032876-A2 NOVEL M-AMINO-PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed
US-5254135-A Applying indole dye, developing with oxidizing system L'OREAL (FR) 1993-10-19 US disclosed
US-4552981-A Process for the production of 5-nitro-acet-2,4-xylidine MOBAY CHEMICAL CORPORATION (US) 1985-11-12 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 (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-20020161031-A1 m-amino-phenylimino-imidazolidine derivatives for treating urinary incontinence RXFP1, RXFP3, PRMT1 POLB 2982/4885LMNA 4121/4885ALDH1A1 863/4885
US-20030158420-A1 m-Amino-phenylimino-imidazolidine derivatives for treaing urinary incontinence HRH2, RXFP3, AREG POLB 1940/4885LMNA 4168/4885ALDH1A1 1241/4885

“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.