SCHEMBL4858014

SCHEMBL4858014

O=C(CCl)Nc1nc2ccccc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
POLB P06746 1/20 0.69
ALDH1A1 P00352 4/20 0.68
ACP1 P24666 1/20 0.68
NCS1 P62166 1/20 0.66
DYRK1A Q13627 2/20 0.65
ADORA1 P30542 1/20 0.65
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
MAPK1 P28482 2/20 0.64
KDM4E B2RXH2 2/20 0.64
HTT P42858 1/20 0.64
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
CHEK1 O14757 1/20 0.63
AURKA O14965 1/20 0.63

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
SCHEMBL29282910 0.84 DYRK1A (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
Ethylene SCHEMBL8167289 0.84 CSNK1D (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5313704 0.84 CSNK1D (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6206186 0.84 RAB9A (0.72) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL7933388 0.84 HDAC3 (0.71) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL29485044 0.84 DYRK1A (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL29485043 0.84 DYRK1A (0.69) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL25333657 0.83 CSNK1D (0.68) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL3933070 0.83 DYRK1A (0.72) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5070926 0.83 POLB (0.76) CSNK1DSMN1; SMN2NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102546-B Butyrylcholine esterase and monoamine oxidase B dual inhibitor and application thereof 浙江海洋大学 2025-02-11 CN claimed
WO-2024177606-A1 QUINAZOLINONE DERIVATIVE COMPOUNDS SHOWING ANTI-CANCER ACTIVITY AND THE SYNTHESIS METHODS OF THESE COMPOUNDS BILECIK SEYH EDEBALI UNIVERSITESI (TR) 2024-08-29 WO claimed
EP-3959200-B1 NEW TRIAZOLE AND TRIAZOLOTHIADIAZINE DERIVATIVES EXERTING CYTOTOXIC AND APOPTOTIC EFFECTS ON A549 CELLS THROUGH AKT INHIBITION ANADOLU UNIV (TR) 2024-03-20 EP claimed
CN-116102546-A Butyrylcholine esterase and monoamine oxidase B dual inhibitor and application thereof 浙江海洋大学 2023-05-12 CN claimed
CN-102070564-B Benzothiazole alkyl xanthate derivative and preparation method and application thereof UNIV DONGGUAN TECHNOLOGY 2012-11-21 CN claimed
CN-102070564-A Benzothiazole alkyl xanthate derivative and preparation method and application thereof UNIV DONGGUAN TECHNOLOGY 2011-05-25 CN claimed
CN-119954794-A Flavonol derivative containing benzothiazole, and preparation method and application thereof 贵州大学 2025-05-09 CN disclosed
CN-116102546-B Butyrylcholine esterase and monoamine oxidase B dual inhibitor and application thereof 浙江海洋大学 2025-02-11 CN disclosed
WO-2024177606-A1 QUINAZOLINONE DERIVATIVE COMPOUNDS SHOWING ANTI-CANCER ACTIVITY AND THE SYNTHESIS METHODS OF THESE COMPOUNDS BILECIK SEYH EDEBALI UNIVERSITESI (TR) 2024-08-29 WO disclosed
CN-118063452-A Benzothiazole or benzoxazole derivative and preparation method and application thereof 山东大学 2024-05-24 CN disclosed
CN-117843579-A Benzo heterocycle coupled catechol derivative and preparation method and application thereof 暨南大学 2024-04-09 CN disclosed
US-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF MEDIFRON DBT INC. (KR) 2024-01-18 US disclosed
US-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF MEDIFRON DBT INC. (KR) 2024-01-18 US disclosed
US-20030134827-A1 Novel lactam metalloprotease inhibitors DUAN JINGWU (US) 2003-07-17 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
EP-0929550-A1 $i(N)-(BENZOTHIAZOL-2-YL) PIPERIDINE-1-ETHANAMINE DERIVATIVES, THEIR PREPARATION AND APPLICATION IN THERAPEUTICS SYNTHELABO (FR) 1999-07-21 EP disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed
WO-1998014444-A1 N-(BENZOTHIAZOL-2-YL) PIPERIDINE-1-ETHANAMINE DERIVATIVES, THEIR PREPARATION AND APPLICATION IN THERAPEUTICS SYNTHELABO (FR) 1998-04-09 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 (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-20030134827-A1 Novel lactam metalloprotease inhibitors ADAM9, ADAM8, ADAM17 CSNK1D 926/4885SMN1; SMN2 2789/4885NFKB1 1135/4885
US-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF OGA, OGT, ENGASE CSNK1D 4503/4885SMN1; SMN2 4435/4885NFKB1 2894/4885

“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.