SCHEMBL19686876

SCHEMBL19686876

CC(C)(C)CNc1cc(Cl)nc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.41
NUDT1 P36639 2/20 0.37
IDH1 O75874 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
GPR39 O43194 2/20 0.35
HRH4 Q9H3N8 4/20 0.33
GHSR Q92847 1/20 0.32
AR P10275 2/20 0.32
HRH3 Q9Y5N1 2/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL16487279 0.79 AR (0.38) NUDT1IDH1GPR39HRH4AR
SCHEMBL9086602 0.79 IDH1 (0.42) NUDT1IDH1GPR39HRH4HRH3
SCHEMBL12932880 0.78 ALDH1A1 (0.39) ARCYP2C19
SCHEMBL21144348 0.76 HTT (0.44) CYP2C19
SCHEMBL13911224 0.76 S1PR2 (0.45) S1PR2BCHEACHE
SCHEMBL9084398 0.75 ESR1 (0.46) NUDT1GPR39HRH4HRH3CYP2D6
SCHEMBL19686875 0.73 IDH1 (0.47) IDH1HRH4HRH3
SCHEMBL9083901 0.73 NUDT1 (0.44) NUDT1IDH1GPR39HRH4HRH3
SCHEMBL12933406 0.73 KMT2A (0.41) NUDT1IDH1
SCHEMBL5155792 0.72 CYP2D6 (0.58) NUDT1HRH4CYP2D6CYP2C19

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
US-20240317705-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2024-09-26 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 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 (3 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-20240317705-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 S1PR2 859/4885NUDT1 4059/4885IDH1 3017/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 S1PR2 859/4885NUDT1 4059/4885IDH1 3017/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 S1PR2 859/4885NUDT1 4059/4885IDH1 3017/4885

“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.