SCHEMBL18939746

SCHEMBL18939746

CC(C)NC(=O)c1csc(CN(Cc2ccc(Cl)cc2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
BCHE P06276 1/20 0.44
HTT P42858 4/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42
FPR1 P21462 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
KMT2A Q03164 3/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL18427196 0.93 BCHE (0.42) OGANPC1RAB9ABCHEHTT
SCHEMBL18427197 0.92 KMT2A (0.49) OGANPC1RAB9ABCHEHTT
SCHEMBL16706705 0.92 OGA (0.48) OGANPC1RAB9ABCHEALDH1A1
SCHEMBL18427194 0.90 NPC1 (0.49) NPC1RAB9ABCHEHTTMAPT
SCHEMBL16710111 0.88 ALDH1A1 (0.44) NPC1RAB9ABCHEHTTMAPT
SCHEMBL16706749 0.88 TAS1R3 (0.53) NPC1RAB9ABCHEHTTMAPT
SCHEMBL16710125 0.87 HPGD (0.54) HTTMAPTALDH1A1KDM4ELMNA
SCHEMBL18427193 0.87 NPC1 (0.48) NPC1RAB9AHTTMAPTALDH1A1
SCHEMBL16706781 0.86 KMT2A (0.48) NPC1RAB9AHTTMAPTALDH1A1
SCHEMBL16710117 0.86 MCHR1 (0.45) OGANPC1RAB9AHTTMAPT

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-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 OGA 1872/4885NPC1 1181/4885RAB9A 1672/4885

“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.