SCHEMBL4938228

SCHEMBL4938228

CSc1ccccc1NC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ ALDH1A1 P00352 7/20 0.59
▸ HPGD P15428 2/20 0.59
▸ POLB P06746 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ TSHR P16473 1/20 0.54
▸ PKM P14618 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CYP2C19 P33261 1/20 0.52

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
SCHEMBL29651063 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL1534062 0.88 CETP (0.65) ALDH1A1HPGDPOLBSMN1; SMN2MAPK1
SCHEMBL10431594 0.88 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL6857302 0.85 KMT2A (0.65) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL1534076 0.84 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL9721425 0.84 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL4210466 0.83 KMT2A (0.62) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL2935482 0.83 KMT2A (0.68) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL27665991 0.83 KMT2A (0.62) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL6689158 0.82 ALDH1A1 (0.74) KMT2AMEN1ALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698373-A Preparation method of N- (2- (methylthio) phenyl) acetamide compound and purification method thereof 温州大学 2020-01-17 — — CN claimed
CN-112538058-B Preparation method of oxazole-containing cyclic sulfone compound 温州大学新材料与产业技术研究院 2022-05-27 — — CN disclosed
CN-112538058-A Preparation method of oxazole-containing cyclic sulfone compound 温州大学新材料与产业技术研究院 2021-03-23 — — CN disclosed
CN-110698373-A Preparation method of N- (2- (methylthio) phenyl) acetamide compound and purification method thereof 温州大学 2020-01-17 — — CN disclosed
CN-110698373-A Preparation method of N- (2- (methylthio) phenyl) acetamide compound and purification method thereof 温州大学 2020-01-17 — — CN disclosed
CN-110698373-A Preparation method of N- (2- (methylthio) phenyl) acetamide compound and purification method thereof 温州大学 2020-01-17 — — CN disclosed
US-9676763-B2 Method of treating Ebola PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-13 — — US disclosed
WO-2008144500-A2 1-METHYL-BENZO[1,2,4]THIADIAZINE, 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 — — WO disclosed
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 — — US disclosed
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 — — US disclosed
WO-2008144500-A2 1-METHYL-BENZO[1,2,4]THIADIAZINE, 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 — — WO disclosed
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 — — US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — US disclosed
CN-1297442-A 5-aminoindeno [1,2-c] pyrazol-4-ones as anti-cancer and anti-proliferative agents DU PONT PHARM CO (US) 2001-05-30 — — CN 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 (2 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-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES CYP1B1, CYP2E1, DAZAP1 KMT2A 1229/4885MEN1 3139/4885ALDH1A1 143/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 KMT2A 1449/4885MEN1 3032/4885ALDH1A1 1079/4885

“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.

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