SCHEMBL6816993

SCHEMBL6816993

COc1cc2c(Cl)c(C(=O)Nc3nnn[nH]3)sc2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
STING1 Q86WV6 1/20 0.43
PIK3CD O00329 1/20 0.43
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
MAPT P10636 8/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
PPARG P37231 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 2/20 0.39
F10 P00742 2/20 0.39
HDAC3 O15379 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
SCHEMBL6808610 0.92 STING1 (0.51) PKMSTING1NPC1RAB9AMAPT
SCHEMBL6812769 0.86 NPC1 (0.43) PKMSTING1NPC1RAB9AMAPT
SCHEMBL4791383 0.83 PIK3CD (0.38) PKMPIK3CDNPC1RAB9AMAPT
SCHEMBL5793171 0.82 PIK3CD (0.40) PKMPIK3CDMAPTLMNAKDM4E
SCHEMBL4763527 0.82 PIK3CD (0.40) PKMPIK3CDNPC1RAB9AMAPT
SCHEMBL12838831 0.81 PKM (0.66) PKMNPC1RAB9AMAPTLMNA
SCHEMBL4792469 0.81 PIK3CD (0.40) PKMPIK3CDNPC1RAB9AKDM4E
SCHEMBL4878910 0.81 PIK3CD (0.38) PKMPIK3CDMAPTLMNAMEN1
SCHEMBL4791805 0.80 EDNRA (0.45) PIK3CDMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4762834 0.80 PIK3CD (0.39) PKMPIK3CDNPC1RAB9AMAPT

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-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-12-09 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-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents SULT2A1, SULT1A1, SULT1E1 PKM 4222/4885STING1 3144/4885PIK3CD 3754/4885

“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.