SCHEMBL676238

SCHEMBL676238

C1=CN=C2CCCCCN2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INMT O95050 3/20 0.44
USP2 O75604 2/20 0.44
ACHE P22303 10/20 0.41
HPGD P15428 1/20 0.35
BCHE P06276 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL17081021 0.98 INMT (0.41) INMTUSP2ACHEHPGDBCHE
SCHEMBL4757712 0.92
SCHEMBL13686548 0.73 INMT (0.36) INMTUSP2ACHEBCHEALDH1A1
SCHEMBL12744175 0.72 USP2 (0.39) INMTUSP2ACHEHPGDALDH1A1
SCHEMBL29322160 0.67 HTR3E (0.33) ALDH1A1KDM4E
SCHEMBL29341632 0.67 ALDH1A1 (0.37) USP2ALDH1A1CYP3A4KDM4EMAPK1
SCHEMBL22814360 0.63 ACHE (0.41) INMTUSP2ACHEBCHEALDH1A1
SCHEMBL21287456 0.63 ACHE (0.41) INMTUSP2ACHEBCHEALDH1A1
SCHEMBL17080989 0.63 MPO (0.32) HPGD
SCHEMBL9847245 0.63 ALDH1A1 (0.31) ALDH1A1TSHRMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191270-A1 GEL POLYMER ELECTROLYTE COMPOSITION ATTAINING SHORTENED CROSSLINKING TIME, SECONDARY BATTERY COMPRISING SAME, AND MANUFACTURING METHOD FOR SECONDARY BATTERY 주식회사 엘지에너지솔루션 2023-10-05 WO disclosed
WO-2017160810-A1 THIOURETHANE POLYMERS, METHOD OF SYNTHESIS THEREOF AND USE IN ADDITIVE MANUFACTURING TECHNOLOGIES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-09-21 WO disclosed
US-7902269-B2 Dental material based on alkoxysilyl-functional polyethers containing a salt of a strong base as catalyst KETTENBACH GMBH & CO. KG (DE) 2011-03-08 US disclosed
US-7902269-B2 Dental material based on alkoxysilyl-functional polyethers containing a salt of a strong base as catalyst KETTENBACH GMBH & CO. KG (DE) 2011-03-08 US disclosed
US-20070173557-A1 Dental material based on alkoxysilyl-functional polyethers containing a salt of a strong base as catalyst KETTENBACH GMBH & CO. KG (DE) 2007-07-26 US disclosed
US-20070173557-A1 Dental material based on alkoxysilyl-functional polyethers containing a salt of a strong base as catalyst KETTENBACH GMBH & CO. KG (DE) 2007-07-26 US 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 (1 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-20070173557-A1 Dental material based on alkoxysilyl-functional polyethers containing a salt of a strong base as catalyst CSNK1A1L, TBL3, DCLK3 INMT 4402/4885USP2 3041/4885ACHE 3395/4885

“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.