SCHEMBL6633701

SCHEMBL6633701

ClSc1cc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.48
AR P10275 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
KMT2A Q03164 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
FLT3 P36888 1/20 0.44
CYP2A6 P11509 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
SCHEMBL9328485 0.82 AOC3 (0.52) AOC3ARNPC1RAB9AKDM4E
SCHEMBL30990546 0.82 AOC3 (0.52) AOC3ARNPC1RAB9AKDM4E
SCHEMBL10613155 0.82 AOC3 (0.52) AOC3ARNPC1RAB9AKDM4E
SCHEMBL18427579 0.80 AOC3 (0.50) AOC3ARNPC1RAB9AKDM4E
SCHEMBL30637653 0.78 AOC3 (0.48) AOC3ARNPC1RAB9AKDM4E
SCHEMBL29258496 0.78 AOC3 (0.48) AOC3ARNPC1RAB9AKDM4E
SCHEMBL8427260 0.78 AOC3 (0.48) AOC3ARNPC1RAB9AKDM4E
SCHEMBL10532274 0.78 AR (0.55) AOC3ARNPC1RAB9AKDM4E
SCHEMBL6824543 0.75 AR (0.49) AOC3ARNPC1RAB9AKDM4E
Biphenyl SCHEMBL9470119 0.75 NPC1 (0.57) AOC3ARNPC1RAB9AKDM4E

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-20040133014-A1 3-Sulfenylation of indole-2-carboxylates WALL HAMILTON HARRIET (US) 2004-07-08 US 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-20040133014-A1 3-Sulfenylation of indole-2-carboxylates TST, IDO2, INMT AOC3 334/4885AR 3310/4885NPC1 4452/4885

“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.