SCHEMBL21143754

SCHEMBL21143754

O=C(O)NCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CO)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.36
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
P2RX7 Q99572 6/20 0.34
METTL3 Q86U44 2/20 0.33
NAPEPLD Q6IQ20 3/20 0.33
CCNT1 O60563 1/20 0.31
KDM5A P29375 2/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM5B Q9UGL1 2/20 0.31
KDM2B Q8NHM5 1/20 0.31
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4A O75164 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
SCHEMBL21143958 0.94 IDH1 (0.35) IDH1P2RX7METTL3NAPEPLDCCNT1
SCHEMBL21144021 0.92 CCNA2 (0.36) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL21143975 0.90 IDH1 (0.34) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL31127100 0.90 IDH1 (0.34) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL21166293 0.90 IDH1 (0.34) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL21143628 0.85 CCNA2 (0.39) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL19686343 0.85 IDH1 (0.35) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL21143761 0.84 IDH1 (0.42) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL19686925 0.84 IDH1 (0.34) IDH1P2RX7METTL3NAPEPLDF2
SCHEMBL19686404 0.84 IDH1 (0.34) IDH1P2RX7METTL3NAPEPLDF2

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 IDH1 3017/4885CCNA2 4797/4885CDK2 4098/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885CCNA2 4797/4885CDK2 4098/4885

“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.