SCHEMBL796074

SCHEMBL796074

COc1ccc(N)c(SC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CYP3A4 P08684 3/20 0.53
MAPT P10636 2/20 0.53
THRB P10828 2/20 0.53
TDP1 Q9NUW8 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
MCL1 Q07820 1/20 0.52
NPC1 O15118 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MAPK1 P28482 1/20 0.43
CRHR1 P34998 1/20 0.41

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
SCHEMBL8360150 0.85 MEN1 (0.63) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL3791599 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL11896544 0.79 MEN1 (0.51) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL5010145 0.79 NPC1 (0.77) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL6585548 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL10374519 0.77 MEN1 (0.50) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL11896052 0.77 SCN2A (0.43) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL11986291 0.77 POLB (0.46) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL5878716 0.77 CRHR1 (0.42) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL16153836 0.77 POLB (0.46) ALDH1A1MEN1KMT2ACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087338-B Sulfonamide-substituted pyrrolidones derivative and preparation method thereof 常州大学 2021-03-02 CN disclosed
CN-111087338-A Sulfonamide-substituted pyrrolidones derivative and preparation method thereof 常州大学 2020-05-01 CN disclosed
US-20120070374-A1 Compounds for Non-Invasive Measurement of Aggregates of Amyloid Peptides TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2012-03-22 US disclosed
EP-2218464-A1 Compounds for non-invasive measurement of aggregates of amyloid peptides Technische Universität München (DE) 2010-08-18 EP disclosed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO disclosed
EP-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP disclosed
US-5081121-A Cardiotonic agents KIRIN BEER KABUSHIKI KAISHA (JP) 1992-01-14 US disclosed
EP-0343574-A1 4(1H)-quinolone derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed
US-3984405-A PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONES E. R. SQUIBB & SONS, INC. (US) 1976-10-05 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 (5 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 ALDH1A1 2007/4885MEN1 2842/4885KMT2A 2962/4885
US-20120070374-A1 Compounds for Non-Invasive Measurement of Aggregates of Amyloid Peptides IAPP, APP, HTT ALDH1A1 4488/4885MEN1 315/4885KMT2A 4760/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 ALDH1A1 2007/4885MEN1 2842/4885KMT2A 2962/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 ALDH1A1 2007/4885MEN1 2842/4885KMT2A 2962/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 ALDH1A1 2742/4885MEN1 3930/4885KMT2A 2935/4885

“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.