SCHEMBL797369

SCHEMBL797369

O=[N+]([O-])c1ccc2[nH]cc(CO)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.62
PKM P14618 1/20 0.59
PKLR P30613 1/20 0.59
GABRP O00591 3/20 0.51
GABRD O14764 3/20 0.51
GABRA1 P14867 3/20 0.51
GABRB1 P18505 3/20 0.51
GABRG2 P18507 3/20 0.51
GABRB3 P28472 3/20 0.51
GABRA5 P31644 3/20 0.51
GABRA3 P34903 3/20 0.51
GABRA2 P47869 3/20 0.51
GABRB2 P47870 3/20 0.51
GABRA4 P48169 3/20 0.51
GABRE P78334 3/20 0.51
GABRA6 Q16445 3/20 0.51
GABRG1 Q8N1C3 3/20 0.51
GABRG3 Q99928 3/20 0.51
GABRQ Q9UN88 3/20 0.51
PTPRA P18433 1/20 0.50

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
SCHEMBL8629832 0.88 NQO2 (0.67) NQO2PKMPKLRPTPRAMAPT
SCHEMBL31098035 0.88 NQO2 (0.67) NQO2PKMPKLRPTPRAMAPT
SCHEMBL27929617 0.87 NQO2 (0.61) NQO2PKMPKLRGABRPGABRD
SCHEMBL3294986 0.86 NQO2 (0.64) NQO2PKMPKLRMAPTSMN1; SMN2
SCHEMBL4351496 0.85 NQO2 (0.64) NQO2PKMPKLRPTPRAMAPT
SCHEMBL947883 0.84 NQO2 (0.59) NQO2PKMPKLRGABRPGABRD
SCHEMBL7008593 0.84 NQO2 (0.66) NQO2PKMPKLRMAPTSMN1; SMN2
SCHEMBL9664626 0.84 NQO2 (0.59) NQO2PKMPKLRGABRPGABRD
SCHEMBL18189675 0.84 TSHR (0.62) NQO2PKMPKLRGABRPGABRD
SCHEMBL31573286 0.82 LTA4H (0.65) NQO2PKMPKLRMAPT

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
CN-105030766-A Indole-3-carbinol, di-indolyl methane and application of derivatives of indole-3-carbinol and di-indolyl methane to medicine for treating allergic pharyngitis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-11-11 CN disclosed
CN-105012297-A Use of indole-3-carbinol, bis-indolymethane and derivatives thereof in drugs for treatment on contact dermatitis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-11-04 CN disclosed
CN-104997772-A Application of indole-3-methanol, diindolylmethane and derivatives thereof in drugs used for treating psoriasis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-10-28 CN disclosed
CN-104940194-A Application of benzpyrole-3-methyl alcohol, diindolylmethane and ramification thereof used for medicine for treating refractory periodontitis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-09-30 CN disclosed
CN-104922112-A Indole-3-carbinol, diindolylmethane and application of derivatives of indole-3-carbinol and diindolylmethane to medicines for treatment of prostatitis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-09-23 CN disclosed
CN-104922114-A Indole-3-carbinol, diindolylmethane and application of derivatives of indole-3-carbinol and diindolylmethane to medicines for treatment of chronic esophagitis ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-09-23 CN disclosed
CN-104922113-A Indole-3-carbinol, diindolylmethane and application of derivatives of indole-3-carbinol and diindolylmethane to medicines for treatment of gastric ulcer ANHUI SIZHENG MEDICAL TECHNOLOGY CO LTD 2015-09-23 CN disclosed
CN-104906086-A Application of indole-3-methaol, bis(indoly)methane and derivatives thereof in medicine for treating glomerulonephritis ANHUI SIZHENG PHARMACEUTICAL TECHNOLOGY CO LTD 2015-09-16 CN disclosed
CN-102335168-B Application of indole-3-carbinol, diindolyl methane and derivatives thereof in preparation of medicaments for treating osteoporosis BOLTEC BIOPHARM CO LTD 2014-04-02 CN disclosed
CN-102335169-B Application of indole-3-carbinol, diindolyl methane and derivatives thereof in preparation of medicaments for treating senile dementia HEFEI BOTAI MEDICAL BIO TECHNOLOGY DEV CO LTD 2014-03-19 CN disclosed
CN-101940568-B Application of indole-3-methanol, diindolylmethane and derivatives thereof in preparing medicament for treating cardiac failure caused by anthracycline BOTAI BIO PHARM TECHNOLOGY CO LTD 2012-11-14 CN disclosed
CN-102429901-A Application of indole-3-methanol, diindolylmethane and derivatives thereof in preparation of medicines for preventing and treating renal fibrosis HEFEI BOLTEC BIOPHARM TECHNOLOGY DEV CO LTD 2012-05-02 CN disclosed
CN-102389419-A Application of indole-3-carbinol, diindolylmethane and derivatives thereof to preparation of medicine for preventing and controlling atherosclerosis HEFEI BOTAI MEDICAL BIO TECHNOLOGY DEV CO LTD 2012-03-28 CN disclosed
CN-102389420-A Applications of indole-3-carbinol, diindolylmethane and derivatives thereof in preparation of medicaments for preventing and treating pulmonary fibrosis HEFEI BOTAI MEDICAL BIO TECHNOLOGY DEV CO LTD 2012-03-28 CN disclosed
WO-2012037034-A1 E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2012-03-22 WO disclosed
CN-102335169-A Application of indole-3-carbinol, diindolyl methane and derivatives thereof in preparation of medicaments for treating senile dementia HEFEI BOTAI MEDICAL BIO TECHNOLOGY DEV CO LTD 2012-02-01 CN disclosed
CN-102335168-A Application of indole-3-carbinol, diindolyl methane and derivatives thereof in preparation of medicaments for treating osteoporosis HEFEI BOTAI MEDICAL BIO TECHNOLOGY DEV CO LTD 2012-02-01 CN disclosed
CN-102327262-A Indole-3-methanol, diindolylmethane and application of derivative thereof in preparation of drug for treating diabetes HEFEI BOLTEC BIOPHARM CO LTD 2012-01-25 CN disclosed
CN-101940568-A Application of indole-3-methanol, diindolylmethane and derivatives thereof in preparing medicament for treating cardiac failure caused by anthracycline BOTAI BIO PHARM TECHNOLOGY CO LTD 2011-01-12 CN disclosed
US-20090239760-A1 Method for the Identification of New Leads for Drug Candidates UNIVERSITY OF BASEL (CH) 2009-09-24 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 (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-20090239760-A1 Method for the Identification of New Leads for Drug Candidates MAG, PMP22, MAGI3 NQO2 1416/4885PKM 3232/4885PKLR 3445/4885

“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.