SCHEMBL19686994

SCHEMBL19686994

COC(=O)N1CC(Oc2cc(NC3CCCCC3)nc(-c3nc(C)cs3)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM5 P41594 4/20 0.36
RAB9A P51151 2/20 0.35
HPGD P15428 3/20 0.34
MAPT P10636 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
ALOX15 P16050 2/20 0.34
KCNN2 Q9H2S1 1/20 0.33
KCNN3 Q9UGI6 1/20 0.33
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 3/20 0.33

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
SCHEMBL19687041 0.91 GRM5 (0.35) GRM5RAB9AJAK2JAK1JAK3
SCHEMBL19687400 0.90 IDH1 (0.38) GRM5RAB9AHRH3
SCHEMBL31127156 0.90 IDH1 (0.38) GRM5RAB9AHRH3
SCHEMBL31127077 0.89 GRM5 (0.34) GRM5RAB9A
SCHEMBL19686998 0.89 GRM5 (0.34) GRM5RAB9A
SCHEMBL19687028 0.89 GRM5 (0.34) GRM5RAB9A
SCHEMBL19686386 0.85 ADORA2A (0.41) LMNAMEN1KMT2ATDP1JAK2
SCHEMBL19686383 0.85 NPC1 (0.36) LMNAMEN1KMT2ATDP1RAB9A
SCHEMBL19687119 0.84 IDH1 (0.37) RAB9AHRH3
SCHEMBL21143993 0.83 FABP4 (0.35) GRM5

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 LMNA 1529/4885MEN1 1514/4885KMT2A 1471/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 LMNA 1529/4885MEN1 1514/4885KMT2A 1471/4885

“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.