SCHEMBL21144150

SCHEMBL21144150

Cc1ccn(-c2cc(C(C)O)cc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 14/20 0.39
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
KDM1A O60341 1/20 0.32
MAPK8 P45983 1/20 0.32
IDH2 P48735 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KCNN2 Q9H2S1 1/20 0.31
KCNN3 Q9UGI6 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
SCHEMBL31127180 1.00 IDH1 (0.39) IDH1MAPTRAB9ANPC1ATM
SCHEMBL19687346 0.91 IDH1 (0.40) IDH1MAPTRAB9ANPC1ATM
SCHEMBL31127283 0.91 IDH1 (0.40) IDH1MAPTRAB9ANPC1ATM
SCHEMBL21143730 0.90 IDH1 (0.39) IDH1MAPTRAB9ANPC1ATM
SCHEMBL21144135 0.87 IDH1 (0.42) IDH1MAPTRAB9ANPC1ATM
SCHEMBL21143773 0.87 IDH1 (0.35) IDH1
SCHEMBL21166183 0.86 IDH1 (0.34) IDH1
SCHEMBL19687350 0.85 IDH1 (0.34) IDH1
SCHEMBL21165917 0.85 IDH1 (0.34) IDH1MAPK8IDH2
SCHEMBL19687348 0.85 IDH1 (0.34) IDH1MAPK8IDH2

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 3017/4885MAPT 2009/4885RAB9A 1362/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885MAPT 2009/4885RAB9A 1362/4885

“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.