SCHEMBL20554113

SCHEMBL20554113

CCOC(=O)c1ccc2nc(-n3cc4ccc(OC)cc4c3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.52
NPC1 O15118 8/20 0.52
RAB9A P51151 8/20 0.52
KDM4E B2RXH2 6/20 0.52
STAT1 P42224 1/20 0.52
MAPT P10636 7/20 0.49
ALDH1A1 P00352 6/20 0.49
GAA P10253 4/20 0.49
HPGD P15428 4/20 0.49
ALPL P05186 1/20 0.49
PCSK9 Q8NBP7 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 6/20 0.48
TSHR P16473 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 3/20 0.46

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
SCHEMBL20553950 0.88 NPC1 (0.53) SMN1; SMN2NPC1RAB9AKDM4ESTAT1
SCHEMBL20554124 0.86 KDM4E (0.55) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL24729374 0.80 ALDH1A1 (0.68) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL9698077 0.76 KDM4E (0.62) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL30101688 0.75 GAA (0.75) SMN1; SMN2NPC1RAB9AKDM4ESTAT1
SCHEMBL6844717 0.75 NPC1 (0.65) SMN1; SMN2NPC1RAB9AKDM4ESTAT1
SCHEMBL4667327 0.74 NPC1 (0.68) SMN1; SMN2NPC1RAB9AKDM4ESTAT1
SCHEMBL22897266 0.74 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL20028196 0.74 MAPT (0.55) SMN1; SMN2NPC1RAB9AKDM4ESTAT1
SCHEMBL359720 0.73 CA12 (0.50) SMN1; SMN2NPC1RAB9AKDM4EMAPT

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-20190002452-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF GUANGZHOU HENOVCOM BIOSCIENCE CO. LTD. (CN) 2019-01-03 US disclosed
EP-3401315-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF Guangzhou Henovcom Bioscience Co. Ltd. (CN) 2018-11-14 EP 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 (1 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-20190002452-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF NR1H4, FXR1, GPBAR1 SMN1; SMN2 4837/4885NPC1 224/4885RAB9A 3559/4885

“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.