SCHEMBL19687422

SCHEMBL19687422

COc1cc(NC2CCC3(CC2)COC3)nc(-c2nc(C)cs2)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
IDH1 O75874 4/20 0.34
ADORA2A P29274 3/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TYK2 P29597 1/20 0.31
ADORA1 P30542 2/20 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
SCHEMBL19687360 0.92 IDH1 (0.36) FABP4FABP5IDH1ADORA2AKDM4E
SCHEMBL21143995 0.87 IDH1 (0.36) FABP4FABP5IDH1ADORA2AKDM4E
SCHEMBL31127167 0.87 IDH1 (0.36) FABP4FABP5IDH1ADORA2AKDM4E
SCHEMBL19686927 0.86 IDH1 (0.47) FABP4FABP5IDH1ADORA2A
SCHEMBL21165924 0.86 FYN (0.37) ADORA2AKDM4ENPC1ALDH1A1MAPT
SCHEMBL21165930 0.85 PDGFRB (0.41) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21165950 0.85 PDGFRB (0.39) ADORA2AKDM4ENPC1ALDH1A1MAPT
SCHEMBL21165976 0.84 PDGFRB (0.33) IDH1ADORA2AKDM4ENPC1ALDH1A1
SCHEMBL21165967 0.84 LMNA (0.43) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL19686438 0.83 ADORA2A (0.33) IDH1ADORA2AKDM4ENPC1ALDH1A1

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 FABP4 2531/4885FABP5 2779/4885IDH1 3017/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 FABP4 2531/4885FABP5 2779/4885IDH1 3017/4885

“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.