SCHEMBL1630724

SCHEMBL1630724

Cc1cc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
GRIA1 P42261 2/20 0.51
GRIA2 P42262 2/20 0.51
GRIA3 P42263 2/20 0.51
GRIA4 P48058 2/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
NOS1 P29475 1/20 0.51
HRH4 Q9H3N8 1/20 0.50
ALDH1A1 P00352 5/20 0.49
NPBWR1 P48145 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL30917347 0.86 CYP19A1 (0.60) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL317330 0.86 CYP19A1 (0.60) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL397170 0.81 ALDH1A1 (0.56) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL4969287 0.79 MAPT (0.51) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL5150341 0.79 MAPT (0.51) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL4885975 0.78 MAPT (0.47) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL9053698 0.78 NPBWR1 (0.52) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL10117949 0.77 ALDH1A1 (0.55) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL4427396 0.76 GRIA1 (0.58) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL397992 0.76 MAPT (0.49) MAPTGRIA1GRIA2GRIA3GRIA4

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
CN-116782896-A Nitrifying galectin derivatives and their use for modulating 5-HT2A receptors and treating psychotic disorders 恩维瑞克生物科学加拿大公司 2023-09-19 CN disclosed
EP-4208446-A1 NITRATED PSILOCYBIN DERIVATIVES AND USE THEREOF FOR MODULATING 5-HT2A RECEPTOR AND FOR TREATING A PSYCHIATRIC DISORDER Enveric Biosciences Canada Inc. (CA) 2023-07-12 EP disclosed
US-20230040398-A1 NITRATED PSILOCYBIN DERIVATIVES AND METHODS OF USING Enveric Biosciences Canada Inc. (CA) 2023-02-09 US disclosed
WO-2022047583-A1 NITRATED PSILOCYBIN DERIVATIVES AND USE THEREOF FOR MODULATING 5-HT2A RECEPTOR AND FOR TREATING A PSYCHIATRIC DISORDER MAGICMED INDUSTRIES INC. (CA) 2022-03-10 WO disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
EP-1979314-B1 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2013-01-09 EP disclosed
CN-101374808-B Indole sulfonamide modulators of progesterone receptors LILLY CO ELI 2011-05-25 CN disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
US-20100197938-A1 Process for producing indole compoud NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-05 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 US disclosed
CN-101374808-A Indole sulfonamide modulators of progesterone receptors LILLY CO ELI (US) 2009-02-25 CN disclosed
US-20070083053-A1 Process for producing indole compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-12 US disclosed
EP-1276721-A2 METHYLATION OF INDOLE COMPOUNDS USING DIMETHYL CARBONATE F. HOFFMANN-LA ROCHE AG (CH) 2003-01-22 EP disclosed
WO-2001081305-A2 METHYLATION OF INDOLE COMPOUNDS USING DIMETHY CARBONATE F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 WO disclosed
WO-1999028297-A1 SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-10 WO 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 (4 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-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors PGR, NPSR1, PRLHR MAPT 4285/4885GRIA1 329/4885GRIA2 481/4885
US-20100197938-A1 Process for producing indole compoud IDO1, IDO2, NOS2 MAPT 2936/4885GRIA1 2536/4885GRIA2 1673/4885
US-20230040398-A1 NITRATED PSILOCYBIN DERIVATIVES AND METHODS OF USING PNMT, CNR2, NOS2 MAPT 2200/4885GRIA1 2189/4885GRIA2 2500/4885
US-20070083053-A1 Process for producing indole compound IDO2, IDO1, TDO2 MAPT 3200/4885GRIA1 2827/4885GRIA2 1794/4885

“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.