SCHEMBL18152809

SCHEMBL18152809

CCCCn1c(-c2ccccc2)nc(C)c1C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
NR1H3 Q13133 1/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PDE4B Q07343 3/20 0.49
HSD11B1 P28845 2/20 0.46
TP53 P04637 1/20 0.46
ADORA2B P29275 2/20 0.43
TLR8 Q9NR97 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
C5AR1 P21730 1/20 0.42
CASR P41180 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL11213223 0.94 TSHR (0.57) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL5071460 0.85 TSHR (0.63) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL27576611 0.84 TSHR (0.61) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL6619406 0.81 TSHR (0.58) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL652738 0.81 TSHR (0.58) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL18152746 0.79 TLR8 (0.48) TSHRHPGDTLR8
SCHEMBL11875015 0.78 TSHR (0.54) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL9321137 0.78 TP53 (0.72) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18152846 0.78 TSHR (0.61) TSHRNR1H3KDM4EALDH1A1HPGD
SCHEMBL18152765 0.76 KDM4E (0.59) TSHRNR1H3KDM4EALDH1A1HPGD

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 15 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-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
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
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.