SCHEMBL199347

SCHEMBL199347

O=C(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HSD11B1 P28845 1/20 0.59
GSK3B P49841 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TAAR1 Q96RJ0 1/20 0.57
SRD5A2 P31213 2/20 0.57
TDP1 Q9NUW8 2/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALOX5 P09917 1/20 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
SCHEMBL4319309 0.93 CES2 (0.61) CRHBPCRHR2CES2CES1MAPT
SCHEMBL29110778 0.87 CRHBP (0.56) CRHBPCRHR2CES2CES1MAPT
SCHEMBL18304253 0.84 CRHBP (0.52) CRHBPCRHR2CES2CES1MAPT
SCHEMBL668743 0.83 NPC1 (0.63) MAPTALDH1A1GSK3BL3MBTL1NPC1
SCHEMBL28872876 0.83 PKM (0.62) CES1MAPTALDH1A1GSK3BL3MBTL1
SCHEMBL8985359 0.83 NPC1 (0.59) CES1MAPTALDH1A1GSK3BL3MBTL1
SCHEMBL7129800 0.83 MAPT (0.80) CES2CES1MAPTL3MBTL1NPC1
SCHEMBL4477185 0.82 CES1 (0.70) CRHBPCRHR2CES2CES1MAPT
SCHEMBL28532343 0.82 ALDH1A1 (0.60) CRHBPCRHR2CES2CES1MAPT
SCHEMBL9207986 0.82 CES1 (0.70) CRHBPCRHR2CES2CES1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 US disclosed
CN-103547263-B Cannabinoid receptor antagonists/inverse agonists useful for the treatment of metabolic disorders, including obesity and diabetes JENRIN DISCOVERY (US) 2015-12-09 CN disclosed
US-20150157605-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY, INC. 2015-06-11 US disclosed
US-20150157605-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY, INC. 2015-06-11 US disclosed
US-20150157605-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY, INC. 2015-06-11 US disclosed
CN-101842013-B Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY 2015-04-15 CN disclosed
US-8853252-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2014-10-07 US disclosed
US-8853252-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2014-10-07 US disclosed
US-8853252-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2014-10-07 US disclosed
US-8648072-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2014-02-11 US disclosed
US-20090036511-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2009-02-05 US disclosed
US-7482470-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2009-01-27 US disclosed
US-7482470-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2009-01-27 US disclosed
US-7482470-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2009-01-27 US disclosed
WO-2007131219-A2 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS JENRIN DISCOVERY (US) 2007-11-15 WO disclosed
WO-2007131219-A2 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS JENRIN DISCOVERY (US) 2007-11-15 WO disclosed
US-20070259934-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2007-11-08 US disclosed
US-20070259934-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2007-11-08 US disclosed
US-20070259934-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2007-11-08 US disclosed
US-4037037-A STABLE ENOLATE YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1977-07-19 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 (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-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 CRHBP 4327/4885CRHR2 4827/4885CES2 3621/4885
US-20070259934-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CRHBP 601/4885CRHR2 107/4885CES2 864/4885
US-20090036511-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CRHBP 601/4885CRHR2 107/4885CES2 864/4885
US-20150157605-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES CNR2, CNR1, GPR119 CRHBP 605/4885CRHR2 112/4885CES2 667/4885

“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.