SCHEMBL21143705

SCHEMBL21143705

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.38
IDH2 P48735 2/20 0.34
SYK P43405 2/20 0.32
TPH1 P17752 1/20 0.31
KDM1A O60341 2/20 0.31
WHR1 P49842 1/20 0.31
RORC P51449 1/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TYK2 P29597 1/20 0.30

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
SCHEMBL21165902 0.92 IDH1 (0.36) IDH1IDH2SYKTPH1KDM1A
SCHEMBL19687059 0.88 IDH1 (0.41) IDH1IDH2NPC1MAPTRAB9A
SCHEMBL31127349 0.85 IDH1 (0.41) IDH1IDH2NPC1MAPTRAB9A
SCHEMBL21143998 0.85 IDH1 (0.41) IDH1IDH2NPC1MAPTRAB9A
SCHEMBL21144072 0.84 IDH1 (0.39) IDH1KDM1AMAPK1NPC1MAPT
SCHEMBL31127405 0.84 IDH1 (0.39) IDH1KDM1AMAPK1NPC1MAPT
SCHEMBL21144135 0.82 IDH1 (0.42) IDH1IDH2NPC1MAPTRAB9A
SCHEMBL21143919 0.82 IDH1 (0.39) IDH1IDH2KDM1ANPC1MAPT
SCHEMBL21143779 0.80 IDH1 (0.42) IDH1IDH2NPC1MAPTRAB9A
SCHEMBL31127254 0.80 IDH1 (0.42) IDH1IDH2NPC1MAPTRAB9A

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 3017/4885IDH2 2447/4885SYK 3716/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885SYK 3716/4885

“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.