SCHEMBL916214

SCHEMBL916214

Cc1cc([N+](=O)[O-])cc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 3/20 0.44
GPR35 Q9HC97 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
DAO P14920 1/20 0.40
NAMPT P43490 1/20 0.40
XDH P47989 1/20 0.40
NPBWR1 P48145 3/20 0.40
PKM P14618 2/20 0.39
PKLR P30613 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
ACHE P22303 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL8487610 0.81 TDP1 (0.50) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL8650420 0.80 POLB (0.50) TSHRCYP3A4MAPTDAONAMPT
SCHEMBL12359788 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTLMNADAO
SCHEMBL915292 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4GPR35DAO
SCHEMBL31326013 0.76 PKM (0.56) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL398147 0.76 PKM (0.56) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL28604070 0.76 VCAM1 (0.47) ALDH1A1TSHRCYP3A4MAPTLMNA
SCHEMBL31451885 0.76 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4MAPTXDH
SCHEMBL13987130 0.74 NR4A2 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL22777948 0.73 PKM (0.44) MAPTPKMPKLRMEN1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578735-A1 NOVEL KERATIN FIBRE DYEING METHOD USING AMINOINDOLES, WITH ACID pH, COMPOSITIONS THEREFOR AND NOVEL AMINOINDOLE COMPOUNDS. OREAL (FR) 1994-01-19 EP claimed
WO-1992017157-A1 NOVEL KERATIN FIBRE DYEING METHOD USING AMINOINDOLES, WITH ACID pH, COMPOSITIONS THEREFOR AND NOVEL AMINOINDOLE COMPOUNDS L'OREAL (FR) 1992-10-15 WO claimed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
US-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
US-7812036-B2 Androgens N.V. ORGANON (NL) 2010-10-12 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 US disclosed
EP-1742912-A1 NOVEL ANDROGENS N.V. Organon (NL) 2007-01-17 EP disclosed
WO-2005102998-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2005-11-03 WO disclosed
US-5752982-A DYEING HAIR IN LIGHTFAST, WASHFAST COLORS L'OREAL (FR) 1998-05-19 US disclosed
EP-0580713-B1 METHOD FOR DYEING KERATIN FIBRES WITH AMINOINDOLES HAVING ALKALINE pH, AND COMPOSITIONS THEREFOR OREAL (FR) 1995-03-01 EP disclosed
EP-0460996-B1 Keratinic fibres dyeing process with an aminoindol associated with a quinone derivative OREAL (FR) 1994-09-14 EP disclosed
EP-0580713-A1 METHOD FOR DYEING KERATIN FIBRES WITH AMINOINDOLES HAVING ALKALINE pH, AND COMPOSITIONS THEREFOR. OREAL (FR) 1994-02-02 EP disclosed
EP-0578735-A1 NOVEL KERATIN FIBRE DYEING METHOD USING AMINOINDOLES, WITH ACID pH, COMPOSITIONS THEREFOR AND NOVEL AMINOINDOLE COMPOUNDS. OREAL (FR) 1994-01-19 EP disclosed
US-5180400-A METHOD FOR DYEING KERATINOUS FIBRES USING AN AMINOINDOLE IN COMBINATION WITH A QUINONE DERIVATIVE L'OREAL (FR) 1993-01-19 US disclosed
WO-1992018093-A1 METHOD FOR DYEING KERATIN FIBRES WITH AMINOINDOLES HAVING ALKALINE pH, AND COMPOSITIONS THEREFOR L'OREAL (FR) 1992-10-29 WO disclosed
WO-1992017157-A1 NOVEL KERATIN FIBRE DYEING METHOD USING AMINOINDOLES, WITH ACID pH, COMPOSITIONS THEREFOR AND NOVEL AMINOINDOLE COMPOUNDS L'OREAL (FR) 1992-10-15 WO disclosed
EP-0460996-A1 Keratinic fibres dyeing process with an aminoindol associated with a quinone derivative L'OREAL (FR) 1991-12-11 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG ALDH1A1 420/4885TSHR 614/4885TDP1 3916/4885
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4633/4885TSHR 4477/4885TDP1 74/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 ALDH1A1 2340/4885TSHR 103/4885TDP1 4054/4885

“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.