SCHEMBL2304550

SCHEMBL2304550

COc1cc([N+](=O)[O-])ccc1N1C[C@H](O)[C@@H](O)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
HTT P42858 3/20 0.51
PKM P14618 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.45
SLC6A5 Q9Y345 1/20 0.45
GLA P06280 1/20 0.44
EPHX1 P07099 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
SCHEMBL10036399 1.00 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL2243310 1.00 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL2243315 1.00 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL2074086 0.84 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL2074082 0.84 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL2075289 0.84 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL10036393 0.84 HTT (0.64) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL15244494 0.84 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL30366718 0.84 HTT (0.64) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL15709716 0.82 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
WO-2010047956-A9 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 ALDH1A1 689/4885MAPT 2870/4885SMN1; SMN2 4741/4885

“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.