SCHEMBL21143680

SCHEMBL21143680

NC(=S)c1n[c]cc(N2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL352791 0.74 KMT2A (0.51) CRHBPCRHR2KDM4EHTTKMT2A
SCHEMBL7675604 0.73 MAPT (0.45) CRHBPCRHR2HTTKMT2AMAPT
SCHEMBL27892245 0.73 KMT2A (0.46) CRHBPCRHR2KDM4EHTTKMT2A
SCHEMBL4202025 0.65 HRH3 (0.39) KDM4EKMT2AMAPTCYP1A2CYP2D6
SCHEMBL14080894 0.64 KDM4E (0.60) KDM4EHTTKMT2AMAPTMEN1
SCHEMBL4200272 0.63 HRH3 (0.43) GAAALOX15
SCHEMBL10746496 0.63 CYP2C19 (0.46) CRHBPCRHR2KDM4EHTTKMT2A
SCHEMBL4781313 0.62 KMT2A (0.51) CRHBPCRHR2KDM4EHTTKMT2A
SCHEMBL7676555 0.62 CYP1A2 (0.50) CRHBPCRHR2HTTKMT2AMAPT
SCHEMBL15285555 0.60 ALDH1A1 (0.68) KDM4EHTTKMT2AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 CRHBP 4298/4885CRHR2 3841/4885KDM4E 1648/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CRHBP 4298/4885CRHR2 3841/4885KDM4E 1648/4885

“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.

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