SCHEMBL452340

SCHEMBL452340

c1ccc(-c2nccs2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
RAB9A P51151 7/20 0.57
NPC1 O15118 5/20 0.57
MAPT P10636 3/20 0.57
ATM Q13315 1/20 0.57
PDPK1 O15530 1/20 0.57
LMNA P02545 3/20 0.54
CCR1 P32246 2/20 0.54
CCR5 P51681 2/20 0.54
CCR8 P51685 2/20 0.54
METAP1 P53582 2/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
PDE10A Q9Y233 1/20 0.52
GLA P06280 1/20 0.50
TP53 P04637 4/20 0.48

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
Fluoride SCHEMBL27903468 0.98 KDM4E (0.55) KDM4ERAB9ANPC1MAPTATM
Ammonia Solution, Strong SCHEMBL28442530 0.98 KDM4E (0.55) KDM4ERAB9ANPC1MAPTATM
Urea SCHEMBL21777343 0.89 KDM4E (0.47) KDM4ERAB9ANPC1MAPTATM
Carbamic Acid SCHEMBL10365602 0.88 PDPK1 (0.50) KDM4ERAB9ANPC1MAPTATM
SCHEMBL30511083 0.84
SCHEMBL4902877 0.80 RAB9A (0.61) KDM4ERAB9AMAPTPDPK1LMNA
SCHEMBL4026612 0.80 PDPK1 (0.46) KDM4ERAB9ANPC1MAPTATM
SCHEMBL28064040 0.79 PDPK1 (0.49) KDM4ERAB9ANPC1MAPTATM
SCHEMBL2730329 0.76 RAB9A (0.53) KDM4ERAB9APDPK1LMNACCR1
SCHEMBL26259375 0.76 PDPK1 (0.59) KDM4ERAB9ANPC1MAPTPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122078029-A Wear-resistant ultraviolet-aging-resistant glass fiber silicon core composite board and preparation method thereof 2026-05-26 CN claimed
EP-3843845-B1 INHIBITION OF PROTEIN KINASES TO TREAT FRIEDREICH ATAXIA UNIV MASSACHUSETTS (US) 2026-03-11 EP claimed
US-12281308-B2 Inhibition of protein kinases to treat Friedreich ataxia UNIVERSITY OF MASSACHUSETTS (US) 2025-04-22 US claimed
CN-118406092-A Multi-tooth chelate nickel catalyst and application thereof in preparation of ethylene-alpha-olefin copolymer 浙江大学 2024-07-30 CN claimed
CN-114591354-B Production and preparation method of 4-hydroxy-1, 5-naphthyridine europium complex 兰州睿尔思新材料有限公司 2023-11-24 CN claimed
CN-113149980-A Tert-butyloxycarbonyl micromolecule organic compound targeting PUF60, derivative thereof and application thereof 上海市奉贤区中心医院 2021-07-23 CN claimed
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP claimed
US-10125144-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2018-11-13 US claimed
US-20160237095-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2016-08-18 US claimed
CN-105658059-A Pesticidal compositions and related methods 美国陶氏益农公司 2016-06-08 CN claimed
EP-0828738-B1 PYRIDYL-THIAZOLES AND THEIR USE TO PROTECT PLANTS AGAINST INFECTIONS BY MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2003-12-17 EP claimed
CN-1065242-C Pyridyl-thiazoles BAYER AG (DE) 2001-05-02 CN claimed
US-5945380-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-08-31 US claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
CN-1190969-A Pyridyl-thiazoles BAYER AG (DE) 1998-08-19 CN claimed
EP-0828738-A1 PYRIDYL-THIAZOLES AND THEIR USE TO PROTECT PLANTS AGAINST INFECTIONS BY MICRO-ORGANISMS BAYER AG (DE) 1998-03-18 EP claimed
WO-1996037493-A1 PYRIDYL-THIAZOLES AND THEIR USE TO PROTECT PLANTS AGAINST INFECTIONS BY MICRO-ORGANISMS BAYER AKTIENGESELLSCHAFT (DE) 1996-11-28 WO claimed
US-5470862-A Intravenous anesthetics OHMEDA PHARMACEUTICAL PRODUCTS DIVISION INC. (US) 1995-11-28 US claimed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO claimed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP 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 (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-20160237095-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA KDM4E 1873/4885RAB9A 209/4885NPC1 804/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA KDM4E 1873/4885RAB9A 209/4885NPC1 804/4885

“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.