SCHEMBL6800535

SCHEMBL6800535

O=C(NCc1cccc2ccccc12)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.55
TRPV1 Q8NER1 1/20 0.55
MGLL Q99685 2/20 0.52
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 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
SCHEMBL29587274 0.82 KMT2A (0.59) FAAHTRPV1MGLLALDH1A1MEN1
SCHEMBL31715604 0.82 MEN1 (0.64) FAAHTRPV1MGLLALDH1A1MEN1
SCHEMBL599832 0.82 CYP2C9 (0.67) FAAHTRPV1MGLLMEN1KMT2A
SCHEMBL29586128 0.81 MGLL (0.48) FAAHTRPV1MGLLALDH1A1MEN1
SCHEMBL213593 0.81 MGLL (0.52) FAAHTRPV1MGLLALDH1A1MEN1
SCHEMBL14907666 0.80 MGLL (0.54) FAAHTRPV1MGLLALDH1A1MEN1
SCHEMBL3757985 0.79 CYP2C9 (0.60) FAAHTRPV1MGLLALDH1A1MEN1
SCHEMBL6394617 0.79 HTR2A (0.52) FAAHTRPV1ALDH1A1MEN1KMT2A
SCHEMBL16056377 0.79 BCL9 (0.59) FAAHTRPV1ALDH1A1MEN1KMT2A
SCHEMBL31668309 0.79 FAAH (0.45) FAAHTRPV1MGLLALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734182-B2 SLEEP DISORDERS; EATING DISORDERS; SEXUAL DISORDERS; HYPOTENSIVE AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-05-11 US disclosed
US-20030013714-A1 Aryl sulfonamides and sulfamide derivatives and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-16 US disclosed
US-6391877-B1 EATING DISORDERS; SEXUAL DISORDERS; ANTIDEPRESSANTS; ANTIEPILEPTIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-05-21 US disclosed
US-6211241-B1 ANTIDEPRESSANTS, SLEEP AND EATING DISORDERS AND ANTIEPILEPTIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-03 US disclosed
WO-1997019682-A1 ARYL SULFONAMIDE AND SULFAMIDE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-06-05 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-20030013714-A1 Aryl sulfonamides and sulfamide derivatives and uses thereof NPY5R, SSTR5, NPY2R FAAH 184/4885TRPV1 1039/4885MGLL 3484/4885

“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.