Sugi Predict

Sugi Predict / Compounds / SCHEMBL2074086

SCHEMBL2074086

SCHEMBL2074086

COc1cc([N+](=O)[O-])ccc1N1CCC(O)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ MAPT P10636 4/20 0.52
▸ LMNA P02545 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HTT P42858 4/20 0.47
▸ PKM P14618 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SLC6A5 Q9Y345 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ PDE5A O76074 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
SCHEMBL2074082 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL2075289 0.92 ALDH1A1 (0.57) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL5633895 0.85 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL2304550 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL2243310 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL2243315 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL10036399 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL3245678 0.83 HTT (0.50) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL5635329 0.83 HTT (0.50) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL15540847 0.83 ALDH1A1 (0.58) ALDH1A1MAPTLMNASMN1; SMN2MAPK1

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
EP-2346872-B1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-11-25 — — EP disclosed
US-8754211-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 — — US disclosed
US-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-30 — — US disclosed
US-8580959-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-12 — — US disclosed
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 — — US disclosed
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 — — US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 — — US disclosed
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2011-09-08 — — US disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — 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
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 — — US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 — — US disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 — — EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 — — WO disclosed
EP-1828207-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 — — EP disclosed
EP-1678184-A1 3-(4-AMINOPHENYL)THIENOPYRIMID-4-ONE DERIVATIVES AS MCH R1 ANTAGONISTS FOR THE TREATMENT OF OBESITY, DIABETES, DEPRESSION AND ANXIETY GLAXO GROUP LIMITED (GB) 2006-07-12 — — EP disclosed
WO-2006066174-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 — — WO disclosed
WO-2005042541-A1 3-(4-AMINOPHENYL) THIENOPYRIMID-4-ONE DERIVATIVES AS MCH R1 ANTAGONISTS FOR THE TREATMENT OF OBESITY, DIABETES, DEPRESSION AND ANXIETY GLAXO GROUP LIMITED (GB) 2005-05-12 — — 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 (6 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 ALDH1A1 689/4885MAPT 2870/4885LMNA 4699/4885
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 1473/4885MAPT 2293/4885LMNA 4112/4885
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 668/4885MAPT 886/4885LMNA 3649/4885
US-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 688/4885MAPT 2645/4885LMNA 3998/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 1267/4885MAPT 2244/4885LMNA 4299/4885
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 688/4885MAPT 2645/4885LMNA 3998/4885

“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.