SCHEMBL646103

SCHEMBL646103

Clc1ccccc1Cc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 1/20 0.44
PNMT P11086 1/20 0.43
IDO1 P14902 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC5A2 P31639 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL30505689 0.85 CYP2C9 (0.50) CYP2C9SMN1; SMN2LMNAHPGDTAAR1
SCHEMBL21622792 0.82 TAAR1 (0.48) DRD2DRD4DRD3ALDH1A1PNMT
SCHEMBL24105617 0.80 L3MBTL1 (0.42) ABL1DRD2DRD4DRD3ALDH1A1
SCHEMBL27795329 0.80 CYP2C9 (0.44) CYP2C9SMN1; SMN2LMNAHPGDTAAR1
SCHEMBL4863794 0.79 NPC1 (0.57) ABL1ALDH1A1CYP2C9IDO1SMN1; SMN2
SCHEMBL11314534 0.78 L3MBTL1 (0.46) DRD2DRD4DRD3ALDH1A1CYP2C9
SCHEMBL11639244 0.78 CYP3A4 (0.59) ALDH1A1CYP2C9SMN1; SMN2LMNAHPGD
SCHEMBL7073867 0.78 DRD2 (0.43) DRD2DRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL10385967 0.76 CYP2C9 (0.44) CYP2C9SMN1; SMN2LMNAHPGDTAAR1
SCHEMBL9024874 0.76 HPGD (0.54) ABL1DRD4DRD3CYP2C9SMN1; SMN2

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117019156-A Supported metal cluster catalyst and preparation method thereof 南京大学 2023-11-10 CN claimed
CN-116789579-A Preparation method of ultrafast metal-free solvent-free disulfide bond-containing compound 南京工业大学 2023-09-22 CN claimed
CN-114477223-B Preparation method and application of sulfhydryl-functionalized SBA molecular sieve 中国石油化工股份有限公司 2023-09-08 CN claimed
CN-114477223-B Preparation method and application of sulfhydryl-functionalized SBA molecular sieve 中国石油化工股份有限公司 2023-09-08 CN disclosed
CN-114105167-B Sulfhydryl functional MCM-41 molecular sieve and preparation method and application thereof 中国石油化工股份有限公司 2023-05-12 CN disclosed
CN-114751936-A Method for phosphorylation of amine, amide, alcohol and mercaptan 河南大学 2022-07-15 CN disclosed
CN-110514823-A A kind of blood platelet inhibiting rate detection kit and preparation method thereof and detection method MEDCAPTAIN MEDICAL TECH CO LTD 2019-11-29 CN disclosed
CN-107108662-A Silylation of aromatic heterocycles by earth-rich transition metal-free catalysts 加州理工学院 2017-08-29 CN disclosed
CN-105418610-B A kind of 10 hydroxyevodiamine anti-tumor compounds and its preparation method and application 中国人民解放军第二军医大学 2017-07-28 CN disclosed
US-8410161-B2 Thioxanthone ring system derivatives NATIONAL DEFENSE MEDICAL CENTER (TW) 2013-04-02 US disclosed
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-5874424-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-02-23 US disclosed
US-5847135-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-12-08 US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP disclosed
US-5716929-A THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1998-02-10 US disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 WO disclosed
US-4432992-A PREVENTION OF CALCIUM OXALATE KIDNEY OR BLADDER STONES MERCK & CO., INC. (US) 1984-02-21 US disclosed
US-4375474-A BACTERICIDES, FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1983-03-01 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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 ABL1 3975/4885DRD2 4878/4885DRD4 4871/4885

“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.