SCHEMBL3760650

SCHEMBL3760650

CC(C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 1.00
▸ ALDH1A1 P00352 12/20 0.76
▸ NPC1 O15118 10/20 0.76
▸ RAB9A P51151 9/20 0.76
▸ KDM4E B2RXH2 8/20 0.76
▸ SMN1; SMN2 Q16637 6/20 0.76
▸ KMT2A Q03164 3/20 0.76
▸ MAPT P10636 9/20 0.66
▸ PKM P14618 1/20 0.66
▸ HTT P42858 3/20 0.64
▸ HPGD P15428 3/20 0.64
▸ POLB P06746 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ LMNA P02545 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL3755149 0.71 GLA (0.54) GLAALDH1A1NPC1RAB9AKDM4E
SCHEMBL3749760 0.69 RAB9A (0.65) GLAALDH1A1NPC1RAB9AKDM4E
SCHEMBL11717418 0.69 POLB (0.56) GLAALDH1A1NPC1RAB9AKDM4E
SCHEMBL5807368 0.67 ALDH1A1 (0.64) GLAALDH1A1NPC1RAB9AKDM4E
SCHEMBL6033361 0.66 RAB9A (0.55) GLAALDH1A1NPC1RAB9AKDM4E
SCHEMBL7098494 0.64 RAB9A (0.56) GLAALDH1A1NPC1RAB9AKDM4E
SCHEMBL6037637 0.64 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL5804328 0.64 ALDH1A1 (0.59) GLAALDH1A1NPC1RAB9AKDM4E
SCHEMBL16652890 0.64 RAB9A (1.00) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL652602 0.64 RAB9A (0.72) GLAALDH1A1NPC1RAB9AKDM4E

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-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 — — US disclosed
WO-2010138828-A2 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 — — WO disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 — — 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 (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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 GLA 3444/4885ALDH1A1 1031/4885NPC1 377/4885

“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.

Send feedback