SCHEMBL4159541

SCHEMBL4159541

CC(C)(C)OC(=O)NCc1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 3/20 0.49
MAPT P10636 3/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
KDM4A O75164 1/20 0.47
ALDH1A1 P00352 4/20 0.46
BCHE P06276 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL3255804 0.89 BCHE (0.50) HPGDCYP1A2CYP2C19HTTMAPT
SCHEMBL21819943 0.84 MAOB (0.47)
SCHEMBL21954259 0.84 DYRK1A (0.49) HPGDMAPTKMT2AKDM4EMEN1
SCHEMBL30466627 0.84 DYRK1A (0.49) HPGDMAPTKMT2AKDM4EMEN1
SCHEMBL30661687 0.84 DYRK1A (0.47) HPGDHTTKDM4AROCK2
SCHEMBL24964516 0.84 DYRK1A (0.47) HPGDHTTKDM4AROCK2
SCHEMBL20509355 0.83 DYRK1A (0.48) KDM4ARAB9A
SCHEMBL17876425 0.83 PTPN1 (0.48) MAPTRAB9ANPC1
SCHEMBL5123403 0.83 AKR1B1 (0.49) KDM4A
SCHEMBL24962449 0.83 HDAC6 (0.52) MAPT

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
US-20240016941-A1 COMBINATION THERAPY ANTABIO SAS (FR) 2024-01-18 US disclosed
WO-2023102140-A1 TMPRSS2 INHIBITORS AND METHODS OF USE TOPSPIN THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
US-20210347748-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2021-11-11 US disclosed
WO-2021191240-A1 COMBINATION THERAPY ANTABIO SAS (FR) 2021-09-30 WO disclosed
CN-107412788-A The new compound being imaged for the Tau protein accumulated to intracerebral 国立研究开发法人量子科学技术研究开发机构 2017-12-01 CN disclosed
CN-104736524-B Novel compound for imaging Tau protein accumulated in brain 国立研究开发法人量子科学技术研究开发机构 2017-06-23 CN disclosed
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2009-07-09 US disclosed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US disclosed
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2008-10-02 US disclosed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP disclosed
WO-2006022718-A1 AKT3 COMPOSITIONS AND METHODS OF USE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-03-02 WO disclosed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US disclosed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 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 (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-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS NR3C1, RXFP3, NR2E3 HPGD 3025/4885CYP1A2 1451/4885CYP2C19 1957/4885
US-20240016941-A1 COMBINATION THERAPY CFTR, ABCB11, SLC26A4 HPGD 1284/4885CYP1A2 1551/4885CYP2C19 2771/4885
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA HPGD 1496/4885CYP1A2 2356/4885CYP2C19 1225/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 HPGD 400/4885CYP1A2 35/4885CYP2C19 8/4885
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS RXFP3, NR3C1, NR2E3 HPGD 3308/4885CYP1A2 1579/4885CYP2C19 2142/4885
US-20210347748-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION INSR, INSRR, ARG1 HPGD 956/4885CYP1A2 228/4885CYP2C19 499/4885

“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.