SCHEMBL2076118

SCHEMBL2076118

O=[N+]([O-])c1ccc2nn(CCN3CCCC3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
CYP2D6 P10635 1/20 0.50
PKM P14618 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
MCHR1 Q99705 2/20 0.47
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PABPC1 P11940 1/20 0.44
S1PR1 P21453 1/20 0.44
HTT P42858 1/20 0.44
RAD52 P43351 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL5860934 0.99 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ALMNACYP2D6
SCHEMBL521032 0.90 LMNA (0.48) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL16931374 0.90 HTR7 (0.50) ALDH1A1MEN1KMT2ALMNACYP2D6
SCHEMBL5861265 0.90 MAPT (0.57) ALDH1A1MEN1KMT2ALMNACYP2D6
SCHEMBL25273637 0.81 MAPT (0.48) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL22604313 0.81 MAPT (0.51) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL15244018 0.81 MAPT (0.48) ALDH1A1MEN1KMT2ALMNAPKM
Hydrochloric Acid SCHEMBL16931504 0.80 MAPT (0.47) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL521706 0.80 MAPT (0.54) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL18638439 0.78 MAPT (0.50) ALDH1A1MEN1KMT2ALMNARAB9A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 US disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
EP-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 EP disclosed
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-7049307-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-05-23 US disclosed
US-20050187279-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-08-25 US disclosed
EP-1558578-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20050137187-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 US disclosed
WO-2004039780-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 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 (5 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-20050137187-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R ALDH1A1 2303/4885MEN1 204/4885KMT2A 1558/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 ALDH1A1 3188/4885MEN1 1049/4885KMT2A 1110/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R ALDH1A1 2991/4885MEN1 1190/4885KMT2A 1095/4885
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 668/4885MEN1 660/4885KMT2A 588/4885
US-20050187279-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R ALDH1A1 2303/4885MEN1 204/4885KMT2A 1558/4885

“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.