SCHEMBL2074068

SCHEMBL2074068

CCSc1nc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.54
NPC1 O15118 8/20 0.54
MAPT P10636 8/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 4/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MCL1 Q07820 1/20 0.50
ATM Q13315 1/20 0.50
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
RECQL P46063 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL2073967 0.84 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2250401 0.82 MAPT (0.67) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2246375 0.80 MAPT (0.67) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL8139921 0.78 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9183400 0.78 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL29878225 0.77 MAPT (0.63) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL28874383 0.77 MAPT (0.63) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2060733 0.76 ALDH1A1 (0.61) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL31312575 0.76 ALDH1A1 (0.60) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL28609801 0.75 MAPT (0.52) RAB9ANPC1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
EP-1828207-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066174-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 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 (2 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R RAB9A 1154/4885NPC1 689/4885MAPT 1507/4885
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R RAB9A 1635/4885NPC1 828/4885MAPT 886/4885

“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.