SCHEMBL2189536

SCHEMBL2189536

COc1cc([N+](=O)[O-])ccc1N1CC=CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
ALDH1A1 P00352 5/20 0.64
LMNA P02545 5/20 0.64
MAPK1 P28482 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HTT P42858 3/20 0.55
TDP1 Q9NUW8 2/20 0.50
SLC6A5 Q9Y345 1/20 0.50
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL29556577 0.85 ALDH1A1 (0.64) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL2062270 0.85 ALDH1A1 (0.64) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1928415 0.85 ALDH1A1 (0.64) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL3175637 0.84 GAA (0.64) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL30306152 0.84 GAA (0.64) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL28531881 0.82 MAPT (0.61) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL3176190 0.82 ALDH1A1 (0.67) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL16824850 0.82 ALDH1A1 (0.60) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL6606828 0.81 ALDH1A1 (0.60) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL2243315 0.81 ALDH1A1 (0.53) MAPTALDH1A1LMNAMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
EP-2346860-B1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 EP disclosed
EP-2346860-B1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 EP disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346860-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010042674-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO disclosed
WO-2010042674-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 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 (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-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MAPT 2418/4885ALDH1A1 837/4885LMNA 3222/4885

“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.