SCHEMBL6101474

SCHEMBL6101474

BrCCOc1nc2ccccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.66
PTGS2 P35354 6/20 0.66
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
LTA4H P09960 5/20 0.46
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.44
UBE2T Q9NPD8 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6748186 0.89 PTGS1 (0.61) PTGS1PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL1902083 0.85 LTA4H (0.65) PTGS1PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL14467536 0.83 PTGS1 (0.61) PTGS1PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL10729452 0.83 PTGS1 (0.61) PTGS1PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL10158221 0.83 PTGS1 (0.61) PTGS1PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL72049 0.83 PTGS1 (0.61) PTGS1PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL10090420 0.83 PTGS1 (0.61) PTGS1PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL9167195 0.81 PTGS1 (0.64) PTGS1PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL14688967 0.81 PTGS1 (0.60) PTGS1PTGS2SMN1; SMN2NPC1RAB9A
SCHEMBL10090168 0.81 PTGS1 (0.64) PTGS1PTGS2SMN1; SMN2NPC1RAB9A

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
CN-110028464-B Antarctic fungus secondary metabolism derivative BTZ-one and preparation method and application thereof 浙江海洋大学 2022-11-18 CN claimed
CN-110028464-B Antarctic fungus secondary metabolism derivative BTZ-one and preparation method and application thereof 浙江海洋大学 2022-11-18 CN disclosed
WO-2013054338-A1 2-THIO-IMIDAZOLE DERIVATIVES AS TGR5 MODULATORS CADILA HEALTHCARE LIMITED (IN) 2013-04-18 WO disclosed
WO-2007081091-A1 RHODANDSE DERIVARIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 WO disclosed
US-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-12-14 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-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent CDC25A, CDC25C, CDC25B PTGS1 2925/4885PTGS2 3022/4885SMN1; SMN2 3760/4885

“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.