SCHEMBL5989853

SCHEMBL5989853

COc1nccc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR2 P34972 3/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
LMNA P02545 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL25396358 0.80 KDR (0.40) ALDH1A1CNR2MEN1KMT2AMAPT
SCHEMBL25396356 0.80 KDR (0.40) ALDH1A1CNR2MEN1KMT2AMAPT
SCHEMBL10967877 0.80 ALDH1A1 (0.46) ALDH1A1HTTPOLBTDP1LMNA
SCHEMBL5988485 0.76 PARG (0.47) ALDH1A1HTTTDP1LMNAMEN1
SCHEMBL6196774 0.76 MEN1 (0.44) ALDH1A1HTTTDP1LMNAMEN1
SCHEMBL28171570 0.76 MEN1 (0.44) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL5990018 0.76 CDC7 (0.47) ALDH1A1TDP1MEN1KMT2A
SCHEMBL30573352 0.76 PARG (0.47) ALDH1A1HTTTDP1LMNAMEN1
SCHEMBL28284190 0.76 MEN1 (0.44) ALDH1A1HTTTDP1LMNAMEN1
SCHEMBL16455342 0.76 MAPT (0.43) ALDH1A1HTTPOLBTDP1LMNA

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-20060030565-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2006-02-09 US disclosed
US-6903094-B2 Amide derivatives and nociceptin antagonists JAPAN TABACCO, INC. (JP) 2005-06-07 US disclosed
US-20030055087-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2003-03-20 US disclosed
US-6410561-B1 ANALGESICS JAPAN TOBACCO INC. (JP) 2002-06-25 US disclosed
EP-1072263-A1 AMIDE DERIVATIVES AND NOCICEPTIN ANTAGONISTS JAPAN TOBACCO INC. (JP) 2001-01-31 EP 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-20030055087-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRK1 ALDH1A1 2407/4885HTT 1546/4885POLB 3841/4885
US-20060030565-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRM1 ALDH1A1 2404/4885HTT 1368/4885POLB 3711/4885

“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.