SCHEMBL19686469

SCHEMBL19686469

CC(=O)NC1CCN(c2cc(NC3CCC(F)(F)CC3)nc(-c3nc(C)cs3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.40
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SMPD3 Q9NY59 4/20 0.35
IDH2 P48735 1/20 0.35
SMO Q99835 2/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 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
SCHEMBL19687022 0.90 IDH1 (0.41) IDH1EPHX2IDH2SMOFABP4
SCHEMBL19686471 0.89 IDH1 (0.44) IDH1IDH2
SCHEMBL19686472 0.88 IDH1 (0.44) IDH1IDH2
SCHEMBL19686476 0.87 CHRM3 (0.46) IDH1IDH2
SCHEMBL19686478 0.86 HRH4 (0.47) IDH1IDH2WNT1GSK3BDYRK1A
SCHEMBL19687010 0.86 IDH1 (0.40) IDH1IDH2
SCHEMBL19686671 0.85 IDH1 (0.43) IDH1IDH2FABP4FABP5WNT1
SCHEMBL19686480 0.85 IDH1 (0.42) IDH1IDH2
SCHEMBL19686649 0.85 IDH1 (0.44) IDH1SMN1; SMN2IDH2
SCHEMBL19686477 0.84 IDH1 (0.43) IDH1IDH2

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 3 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
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO 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 3017/4885USP2 4699/4885HPGD 1676/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885USP2 4699/4885HPGD 1676/4885

“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.