SCHEMBL21143992

SCHEMBL21143992

CCOC(=O)c1nc(Cl)cc(NC2CCC(F)(F)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.40
NOS2 P35228 5/20 0.40
NOS1 P29475 4/20 0.40
NOS3 P29474 2/20 0.36
IDH2 P48735 1/20 0.36
CNR1 P21554 1/20 0.36
CCNT1 O60563 2/20 0.35
ALOX15 P16050 1/20 0.35
S1PR2 O95136 1/20 0.35
OPRK1 P41145 1/20 0.35
CYP2C9 P11712 1/20 0.34
NPR3 P17342 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL17084471 0.86 ALOX15 (0.47) NOS2NOS1ALOX15S1PR2OPRK1
SCHEMBL21143748 0.80 FABP4 (0.43) IDH1CYP2C19
SCHEMBL21143676 0.80 PIK3CA (0.44) ALOX15OPRK1
SCHEMBL31127211 0.80 PIK3CA (0.44) ALOX15OPRK1
SCHEMBL19687210 0.80 KDM4E (0.42) IDH1NOS2NOS1NOS3IDH2
SCHEMBL19687096 0.79 IDH1 (0.40) IDH1IDH2CNR1
SCHEMBL21143647 0.78 IDH1 (0.45) IDH1IDH2CNR1
SCHEMBL15615320 0.77 NOS2 (0.52) NOS2NOS1NOS3CCNT1
SCHEMBL21143893 0.76 IDH1 (0.41) IDH1IDH2CNR1CCNT1OPRK1
SCHEMBL31127185 0.76 IDH1 (0.41) IDH1IDH2CNR1CCNT1OPRK1

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 4 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-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 (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 IDH1 3017/4885NOS2 2703/4885NOS1 2293/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885NOS2 2703/4885NOS1 2293/4885

“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.