SCHEMBL805346

SCHEMBL805346

c1ccc(OCc2nccs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC6A3 Q01959 1/20 0.45
MAPT P10636 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ACACB O00763 1/20 0.43
ABL1 P00519 1/20 0.43
PDPK1 O15530 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42

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
SCHEMBL5757765 0.81 ACACB (0.41) RAB9ANPC1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL16994919 0.81 TRPM8 (0.55) RAB9ANPC1SMN1; SMN2KCNH2SLC6A3
SCHEMBL28758405 0.81 MAPT (0.49) RAB9ANPC1SMN1; SMN2HPGDSLC6A3
SCHEMBL6795023 0.81 CYP2C19 (0.48) RAB9ASMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL18605599 0.80 CYP3A4 (0.53) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL21024526 0.79 ACACB (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL23406106 0.79 KDM4E (0.42) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL29743882 0.79 KDM4E (0.42) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL8796868 0.78 TSHR (0.54) RAB9ANPC1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL21340753 0.78 APP (0.47) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO 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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS PDF, EIF5B, EIF4E RAB9A 3434/4885NPC1 1866/4885SMN1; SMN2 2520/4885

“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.