SCHEMBL4194331

SCHEMBL4194331

COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
KMT2A Q03164 4/20 0.82
PKM P14618 2/20 0.82
MEN1 O00255 2/20 0.82
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 2/20 0.64
HTT P42858 1/20 0.62
LMNA P02545 3/20 0.61
GAA P10253 1/20 0.60
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL4821742 0.91 ALDH1A1 (0.83) ALDH1A1KMT2APKMMEN1SMN1; SMN2
SCHEMBL29483735 0.90 KMT2A (1.00) ALDH1A1KMT2APKMMEN1SMN1; SMN2
SCHEMBL6819578 0.82 ALDH1A1 (0.69) ALDH1A1PKMMAPTLMNAGAA
SCHEMBL13102353 0.82 LMNA (0.72) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6815807 0.81 ALDH1A1 (0.69) ALDH1A1PKMMAPTLMNAGAA
SCHEMBL6819275 0.81 ALDH1A1 (0.69) ALDH1A1PKMMAPTLMNAGAA
SCHEMBL16098653 0.81 KMT2A (0.84) ALDH1A1KMT2APKMMEN1SMN1; SMN2
SCHEMBL4186740 0.81 RAD52 (0.81) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL4188747 0.81 KMT2A (0.68) ALDH1A1KMT2APKMMEN1MAPT
SCHEMBL31570077 0.80 ALDH1A1 (0.73) ALDH1A1KMT2APKMMEN1SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 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-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 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
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 1473/4885KMT2A 997/4885PKM 2335/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 1267/4885KMT2A 999/4885PKM 2499/4885

“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.