SCHEMBL16710101

SCHEMBL16710101

O=C(c1csc(CN(Cc2ccc(Cl)cc2)Cc2ccc3c(c2)OCO3)n1)N1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
NPSR1 Q6W5P4 5/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
SCD5 Q86SK9 3/20 0.44
LMNA P02545 6/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL18940550 0.91 ALDH1A1 (0.54) ALDH1A1NPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL16706869 0.90 ALDH1A1 (0.41) ALDH1A1NPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL16706828 0.90 MMP13 (0.53) ALDH1A1NPSR1SMN1; SMN2LMNAMAPT
SCHEMBL18940549 0.90 ADRA1D (0.47) ALDH1A1NPSR1SMN1; SMN2USP2POLB
SCHEMBL16710059 0.89 NR1H4 (0.43) ALDH1A1NPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL16710132 0.88 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL18940991 0.86 ALDH1A1 (0.45) ALDH1A1NPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL18427128 0.85 TRPC3 (0.55) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL16706807 0.85 TRPC3 (0.57) ALDH1A1NPSR1NPC1SMN1; SMN2HPGD
SCHEMBL16706779 0.84 MAPT (0.55) ALDH1A1NPSR1SMN1; SMN2KDM4ELMNA

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 4 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
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 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 (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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 ALDH1A1 1367/4885NPSR1 1075/4885RAB9A 1672/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 ALDH1A1 1191/4885NPSR1 1103/4885RAB9A 1933/4885

“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.