SCHEMBL45441

SCHEMBL45441

Nc1nnc(-c2ccccc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.67
ALDH1A1 P00352 7/20 0.67
HSD17B10 Q99714 4/20 0.67
HPGD P15428 3/20 0.67
MGAM O43451 6/20 0.64
GAA P10253 6/20 0.64
SI P14410 6/20 0.64
MGAM2 Q2M2H8 6/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
LMNA P02545 1/20 0.64
NOTUM Q6P988 1/20 0.64
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CSNK2A2 P19784 1/20 0.61
CSNK2B P67870 1/20 0.61
CSNK2A1 P68400 1/20 0.61
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MAPT P10636 2/20 0.58
TP53 P04637 2/20 0.58

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
Hydrochloric Acid SCHEMBL3691525 0.98 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDMGAM
SCHEMBL6538646 0.96 KDM4E (0.66) KDM4EALDH1A1HSD17B10HPGDMGAM
SCHEMBL28206720 0.90 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDMGAM
Sulfuric Acid SCHEMBL2380188 0.89 CSNK2A2 (0.60) KDM4EALDH1A1HSD17B10HPGDMGAM
Sulfuric Acid SCHEMBL396801 0.89 CSNK2A2 (0.60) KDM4EALDH1A1HSD17B10HPGDMGAM
Phosphoric Acid SCHEMBL16033968 0.89 CSNK2A2 (0.60) KDM4EALDH1A1HSD17B10HPGDMGAM
SCHEMBL11431183 0.83 MGAM (0.68) KDM4EALDH1A1HSD17B10HPGDMGAM
SCHEMBL9018567 0.83 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL28851907 0.82 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDMGAM
SCHEMBL2213286 0.80 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2LMNAMEN1

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 533 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-118255729-A Method for synthesizing 2-amino-5-substituted-1, 3, 4-thiadiazole 陕西科技大学 2024-06-28 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
CN-109400724-B Thiadiazole urea-containing acetylated starch and preparation method and application thereof 中国科学院烟台海岸带研究所 2021-04-02 CN claimed
CN-107488174-B Phenyl-substituted thiadiazole thiazolinone compound and preparation method and application thereof 南宁师范大学 2020-09-22 CN claimed
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP claimed
CN-107501342-A The preparation method of the ferrocenyl imidazo of 2 phenyl 6 [2,1 b] 1,3,4 thiadiazoles 张家港贸安贸易有限公司 2017-12-22 CN claimed
CN-107488174-A Phenyl substitution thiadiazole thiazolinone compound and its preparation method and application 广西师范学院 2017-12-19 CN claimed
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP claimed
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP claimed
US-20140275546-A1 AZAADAMANTANE FORMATE ESTER AND PROCESS FOR PREPARING AZAADAMANTANE DERIVATIVES ABBVIE INC. (US) 2014-09-18 US claimed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US claimed
EP-2400845-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2012-01-04 EP claimed
WO-2010099166-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2010-09-02 WO claimed
EP-1658072-A4 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-03-25 EP claimed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US claimed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US claimed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP claimed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO claimed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 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 (3 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-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 KDM4E 3582/4885ALDH1A1 2945/4885HSD17B10 3429/4885
US-20140275546-A1 AZAADAMANTANE FORMATE ESTER AND PROCESS FOR PREPARING AZAADAMANTANE DERIVATIVES DHRS9, GRHPR, DECR1 KDM4E 76/4885ALDH1A1 449/4885HSD17B10 134/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 KDM4E 3582/4885ALDH1A1 2945/4885HSD17B10 3429/4885

“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.