SCHEMBL21144141

SCHEMBL21144141

COCc1cc(NC2CCC(F)(F)CC2)nc(C(N)=S)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.44
IDH1 O75874 9/20 0.36
KDM1A O60341 2/20 0.33
PTGES O14684 1/20 0.33
ROCK2 O75116 1/20 0.32
CCNT1 O60563 1/20 0.32
IDH2 P48735 2/20 0.31
MAPK8 P45983 1/20 0.31

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
SCHEMBL21143936 0.82 KDM1A (0.35) CNR1IDH1KDM1AROCK2CCNT1
SCHEMBL31127050 0.82 KDM1A (0.35) CNR1IDH1KDM1AROCK2CCNT1
SCHEMBL31127095 0.81 IDH1 (0.43) CNR1IDH1PTGESCCNT1IDH2
SCHEMBL21143658 0.81 IDH1 (0.43) CNR1IDH1PTGESCCNT1IDH2
SCHEMBL21143742 0.80 CNR1 (0.40) CNR1IDH1KDM1APTGESROCK2
SCHEMBL31127092 0.80 CNR1 (0.40) CNR1IDH1KDM1APTGESROCK2
SCHEMBL21166185 0.77 IDH1 (0.38) CNR1IDH1PTGESCCNT1IDH2
SCHEMBL31127098 0.77 IDH1 (0.38) CNR1IDH1PTGESCCNT1IDH2
SCHEMBL21143850 0.76 IDH1 (0.37) CNR1IDH1KDM1AROCK2MAPK8
SCHEMBL21144369 0.76 IDH1 (0.37) CNR1IDH1KDM1AROCK2MAPK8

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 5 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

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 CNR1 770/4885IDH1 3017/4885KDM1A 1088/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 CNR1 770/4885IDH1 3017/4885KDM1A 1088/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CNR1 770/4885IDH1 3017/4885KDM1A 1088/4885

“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.