SCHEMBL6785148

SCHEMBL6785148

COC(=O)CCC(=O)N1CCC2(CC1)CC(C(=O)NCc1cccs1)=NO2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 6/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2402651 0.92 HPGD (0.43) HPGDHTTCYP2D6ALDH1A1RAB9A
SCHEMBL2405040 0.85 PKM (0.47) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2401319 0.80 SMN1; SMN2 (0.41) HPGDHTTALDH1A1RAB9ANPC1
SCHEMBL2400885 0.80 ABL1 (0.46) HPGDHTTALDH1A1RAB9ANPC1
SCHEMBL2399304 0.80 FKBP1A (0.48) HPGDALDH1A1RAB9AKDM4EMEN1
SCHEMBL2575305 0.79 SMN1; SMN2 (0.45) HPGDHTTCYP2D6ALDH1A1SMN1; SMN2
SCHEMBL2401534 0.78 HPGD (0.42) HPGDHTTALDH1A1RAB9ANPC1
SCHEMBL2401978 0.78 RAB9A (0.45) HPGDALDH1A1RAB9ANPC1KDM4E
SCHEMBL2401537 0.78 AVPR1A (0.43) HPGDHTTALDH1A1SMN1; SMN2PKM
SCHEMBL2402952 0.77 HPGD (0.39) HPGDHTTALDH1A1NPC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US claimed

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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 HPGD 679/4885HTT 3006/4885CYP2D6 37/4885

“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.