SCHEMBL444722

SCHEMBL444722

O=C(O)c1sc2ccccc2c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 1.00
HDAC1 Q13547 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
OGG1 O15527 1/20 0.65
RXFP1 Q9HBX9 3/20 0.64
BCKDK O14874 2/20 0.64
BCL2L1 Q07817 1/20 0.60
CD274 Q9NZQ7 1/20 0.59
MAPK1 P28482 1/20 0.59
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
KDM4E B2RXH2 4/20 0.56
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
TP53 P04637 2/20 0.55
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51

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
SCHEMBL29911721 1.00 MCL1 (1.00) MCL1HDAC1HDAC8HDAC6OGG1
Hydrochloric Acid SCHEMBL4950639 0.98 MCL1 (0.96) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL7088656 0.86 MCL1 (0.76) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL12644102 0.85 MCL1 (0.73) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL64428 0.85 MCL1 (0.73) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL11177633 0.84 MCL1 (0.72) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL2610241 0.83 MCL1 (0.71) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL5418076 0.83 MCL1 (0.71) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL7675240 0.83 MCL1 (0.71) MCL1HDAC1HDAC8HDAC6OGG1
SCHEMBL1886020 0.80 HDAC1 (1.00) MCL1HDAC1HDAC8HDAC6OGG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108350034-B Antimicrobial polymyxin derived compounds 莫纳什大学 2022-03-11 CN claimed
CN-112574248-A Preparation method of di- ((3-chlorobenzothiophene-2-ester group) hexafluorophenoxy) axial substituted silicon phthalocyanine 福建师范大学 2021-03-30 CN claimed
CN-106748604-B Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid 湘潭大学 2020-06-05 CN claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
CN-106432179-A Preparation method of 4-chloro-1-benzothiophene-2-carboxylic acid 江苏兢业制药有限公司 2017-02-22 CN claimed
US-20160368928-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2016-12-22 US claimed
US-9328107-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
US-20150203508-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2015-07-23 US claimed
EP-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 EP claimed
US-20140235622-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-08-21 US claimed
EP-1615666-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
EP-1615667-A2 COMBINATIONS OF AN 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
EP-1615698-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
EP-1501829-A1 THIADIAZOLES OR OXADIAZOLES AND THEIR USE AS INHIBITORS OF JAK PROTEIN KINASE Vertex Pharmaceuticals Incorporated (US) 2005-02-02 EP claimed
WO-2004089416-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089415-A2 COMBINATIONS OF AN 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004058753-A1 THIADIAZOLES OR OXADIAZOLES AND THEIR USE AS INHIBITORS OF JAK PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-15 WO claimed
US-20040038992-A1 Inhibitors of Jak protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2004-02-26 US claimed
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORPORATION 2003-11-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20150203508-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, MGMT, MMAB MCL1 28/4885HDAC1 677/4885HDAC8 694/4885
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues MCHR1, MCHR2, MC1R MCL1 3610/4885HDAC1 1635/4885HDAC8 1673/4885
US-20040038992-A1 Inhibitors of Jak protein kinase JAK2, JAK1, JAK3 MCL1 530/4885HDAC1 1692/4885HDAC8 2222/4885
US-20140235622-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A MCL1 1905/4885HDAC1 2819/4885HDAC8 3319/4885
US-20160368928-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, MGMT, MMAB MCL1 28/4885HDAC1 677/4885HDAC8 694/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A MCL1 1905/4885HDAC1 2819/4885HDAC8 3319/4885

“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.