SCHEMBL18152846

SCHEMBL18152846

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
NR1H3 Q13133 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
C5AR1 P21730 1/20 0.48
FAAH O00519 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
BCHE P06276 2/20 0.47
PDE4B Q07343 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL8843875 0.94 TSHR (0.54) TSHRFAAHMEN1KMT2ACYP1A2
SCHEMBL8103682 0.93 TSHR (0.53) TSHRFAAHMEN1KMT2ACYP1A2
SCHEMBL28871867 0.92 TSHR (0.52) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL26066841 0.89 TP53 (0.50) TSHRFAAHBCHEPDE4BTP53
SCHEMBL18152774 0.87 TSHR (0.50) TSHRNR1H3FAAHMEN1KMT2A
Phosphonic Acid SCHEMBL8110931 0.87 FAAH (0.52) TSHRFAAHBCHEPDE4BTP53
SCHEMBL22219425 0.87 FAAH (0.49) TSHRFAAHBCHEPDE4BTP53
SCHEMBL11524545 0.86 TSHR (0.47) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL5071460 0.86 TSHR (0.63) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL31026230 0.85 TSHR (0.48) TSHRNR1H3C5AR1FAAHMEN1

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-12606666-B2 Imidazoles and imidazolium cations with exceptional alkaline stability CORNELL UNIVERSITY (US) 2026-04-21 US disclosed
EP-4108691-A1 IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY Cornell University (US) 2022-12-28 EP disclosed
EP-3283535-B1 POLYMERS COMPRISING IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY UNIV CORNELL (US) 2022-08-10 EP disclosed
US-20220127413-A1 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY CORNELL UNIVERSITY (US) 2022-04-28 US disclosed
US-20220127413-A1 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY CORNELL UNIVERSITY (US) 2022-04-28 US disclosed
US-11242432-B2 Imidazoles and imidazolium cations with exceptional alkaline stability CORNELL UNIVERSITY (US) 2022-02-08 US disclosed
US-11242432-B2 Imidazoles and imidazolium cations with exceptional alkaline stability CORNELL UNIVERSITY (US) 2022-02-08 US disclosed
CN-108026213-B Imidazole and imidazolium cations with special base stability 康奈尔大学 2021-11-02 CN disclosed
CN-107614568-B Fluoropolymer resin with formula 1 or formula 2, the then film containing it and the display device that is connected by then film 三星SDI株式会社 2019-06-11 CN disclosed
US-20190047963-A1 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY CORNELL UNIVERSITY (US) 2019-02-14 US disclosed
US-20190047963-A1 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY CORNELL UNIVERSITY (US) 2019-02-14 US disclosed
CN-108026213-A Imidazoles and glyoxaline cation with special alkaline stability 康奈尔大学 2018-05-11 CN disclosed
EP-3283535-A2 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY Cornell University (US) 2018-02-21 EP disclosed
WO-2016168468-A2 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY CORNELL UNIVERSITY (US) 2016-10-20 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 (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-20220127413-A1 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY ALPI, ITPA, ITPR2 TSHR 4548/4885NR1H3 4813/4885KDM4E 1492/4885
US-20190047963-A1 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY ALPI, ITPA, ITPR2 TSHR 4548/4885NR1H3 4813/4885KDM4E 1492/4885
US-11242432-B2 Imidazoles and imidazolium cations with exceptional alkaline stability ALPI, ITPA, ITPR2 TSHR 4548/4885NR1H3 4813/4885KDM4E 1492/4885
US-12606666-B2 Imidazoles and imidazolium cations with exceptional alkaline stability SCO2, RCC1, SMC2 TSHR 1886/4885NR1H3 2394/4885KDM4E 1633/4885

“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.