SCHEMBL18152832

SCHEMBL18152832

Cc1nc(C(C)C)n(Cc2ccccc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
TSHR P16473 2/20 0.51
BRD4 O60885 2/20 0.46
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 2/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TNF P01375 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
PDE6D O43924 1/20 0.41
ALDH2 P05091 1/20 0.41

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
SCHEMBL24716371 0.85 KDM4E (0.50) KDM4ENPSR1TSHRBRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL1350501 0.84 TSHR (0.49) KDM4ENPSR1TSHRBRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL11151151 0.79 ALDH1A1 (0.59) KDM4ENPSR1TSHRBRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL27398337 0.77 KDM4E (0.56) KDM4ENPSR1TSHRBRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
Hydrochloric Acid SCHEMBL27634345 0.77 ALDH1A1 (0.58) KDM4ENPSR1TSHRBRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL18152765 0.76 KDM4E (0.59) KDM4ENPSR1TSHRBRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL10040282 0.75 MEN1 (0.67) NPSR1TSHRGAATNFALDH1A1
Hydrochloric Acid SCHEMBL10837623 0.73 MEN1 (0.55) KDM4ENPSR1TSHRBRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL10836880 0.73 TSHR (0.51) KDM4ENPSR1TSHRBRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL18152842 0.73 CFTR (0.47) KDM4ENPSR1TSHRGAAMAPT

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 KDM4E 1492/4885NPSR1 3438/4885TSHR 4548/4885
US-20190047963-A1 IMIDAZOLES AND IMIDAZOLIUM CATIONS WITH EXCEPTIONAL ALKALINE STABILITY ALPI, ITPA, ITPR2 KDM4E 1492/4885NPSR1 3438/4885TSHR 4548/4885
US-11242432-B2 Imidazoles and imidazolium cations with exceptional alkaline stability ALPI, ITPA, ITPR2 KDM4E 1492/4885NPSR1 3438/4885TSHR 4548/4885
US-12606666-B2 Imidazoles and imidazolium cations with exceptional alkaline stability SCO2, RCC1, SMC2 KDM4E 1633/4885NPSR1 3925/4885TSHR 1886/4885

“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.