SCHEMBL231006

SCHEMBL231006

O=C(CCl)Nc1nnc(-c2ccccc2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
RAB9A P51151 8/20 0.61
TSHR P16473 1/20 0.57
KDM4E B2RXH2 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CSNK2A2 P19784 2/20 0.57
CSNK2A1 P68400 2/20 0.57
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
GLS O94925 1/20 0.55
HPGD P15428 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55

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
SCHEMBL27783043 0.88 RNF4 (0.58) NPC1SMN1; SMN2RAB9AKDM4EMEN1
SCHEMBL27804582 0.86 KDM4E (0.74) SMN1; SMN2RAB9AKDM4EMEN1KMT2A
SCHEMBL19538742 0.86 HDAC1 (0.72) NPC1SMN1; SMN2RAB9AKDM4EMEN1
SCHEMBL19520513 0.86 HDAC1 (0.70) NPC1SMN1; SMN2RAB9AKDM4ECSNK2A2
SCHEMBL12988751 0.85 HDAC1 (0.60) NPC1SMN1; SMN2RAB9AHPGDHDAC3
SCHEMBL17713918 0.85 HDAC1 (0.66) NPC1SMN1; SMN2RAB9AKDM4EMEN1
SCHEMBL14954988 0.84 NPC1 (0.63) NPC1SMN1; SMN2RAB9ATSHRKDM4E
SCHEMBL14962997 0.84 KDM4E (0.76) NPC1SMN1; SMN2RAB9ATSHRKDM4E
SCHEMBL7929987 0.84 NPC1 (0.63) NPC1SMN1; SMN2RAB9ATSHRKDM4E
SCHEMBL27804580 0.84 HDAC1 (0.68) NPC1SMN1; SMN2RAB9AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354962-B 12-Nitrogen substituted matric acid ester derivative, preparation method and application thereof 广西大学 2025-01-07 CN claimed
CN-116354962-A 12-nitrogen substituted matric acid ester derivative, preparation method and application thereof 广西大学 2023-06-30 CN claimed
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2016-06-02 US claimed
CN-102395273-A Thienopyridine derivatives for the treatment and prevention of dengue virus infection SIGA TECHNOLOGIES INC 2012-03-28 CN claimed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US claimed
CN-116354962-B 12-Nitrogen substituted matric acid ester derivative, preparation method and application thereof 广西大学 2025-01-07 CN disclosed
CN-116354962-A 12-nitrogen substituted matric acid ester derivative, preparation method and application thereof 广西大学 2023-06-30 CN disclosed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 US disclosed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 US disclosed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 US disclosed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 US disclosed
WO-2017186893-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2017-11-02 WO disclosed
CN-102395273-A Thienopyridine derivatives for the treatment and prevention of dengue virus infection SIGA TECHNOLOGIES INC 2012-03-28 CN disclosed
CN-101723943-B 1,3, 4-thiadiazolyl fluorouracil compounds and preparation method and application thereof NANJING TECH UNIVERSITY (CN) 2012-02-01 CN disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
EP-2400845-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2012-01-04 EP disclosed
WO-2010099166-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2010-09-02 WO disclosed
CN-101723943-A 1,3, 4-thiadiazolyl fluorouracil compounds and preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2010-06-09 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 (4 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-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 NPC1 2091/4885SMN1; SMN2 993/4885RAB9A 1654/4885
US-10730865-B2 Compounds for modulating aquaporins AQP1, AQP4, AQP3 NPC1 96/4885SMN1; SMN2 4791/4885RAB9A 386/4885
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS AQP1, AQP4, AQP3 NPC1 96/4885SMN1; SMN2 4791/4885RAB9A 386/4885
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 NPC1 2091/4885SMN1; SMN2 993/4885RAB9A 1654/4885

“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.