SCHEMBL3754164

SCHEMBL3754164

Cc1sc2nc(C)n(N)c(=O)c2c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 5/20 0.56
NPC1 O15118 3/20 0.56
PKM P14618 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
HPGD P15428 2/20 0.54
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 2/20 0.50
TGM2 P21980 2/20 0.49
HTT P42858 3/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
CXCR5 P32302 1/20 0.43

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
SCHEMBL3754226 0.76 GAK (0.67) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL6033936 0.75 TGM2 (0.57) ALDH1A1KDM4ENPC1SMN1; SMN2HPGD
SCHEMBL12600823 0.70 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1PKMRAB9A
SCHEMBL27965924 0.69 CYP1A2 (0.54) ALDH1A1KDM4ENPC1PKMRAB9A
SCHEMBL2369505 0.68 ALDH1A1 (0.64) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL2905390 0.68 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1SMN1; SMN2HPGD
SCHEMBL8189689 0.68 ALDH1A1 (0.70) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL71309 0.67 RXFP1 (0.79) ALDH1A1KDM4ENPC1PKMRAB9A
SCHEMBL2368678 0.66 MAPK1 (0.70) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL14013967 0.65 KDR (0.78) L3MBTL1

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 ALDH1A1 1031/4885KDM4E 680/4885NPC1 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.