SCHEMBL16706871

SCHEMBL16706871

C=C(c1csc(CN(Cc2ccc3c(c2)OCO3)Cc2ccc(OC)cc2OC)n1)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
LMNA P02545 4/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 3/20 0.40
NR2F2 P24468 1/20 0.40
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCD5 Q86SK9 1/20 0.38
MAPT P10636 3/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL16706785 0.94 ADRA1D (0.44) KDM4ELMNASMN1; SMN2MAPTPOLB
SCHEMBL16706845 0.93 SMN1; SMN2 (0.39) KDM4ELMNASMN1; SMN2MAPTPOLB
SCHEMBL16710119 0.92 SCD5 (0.46) KDM4ELMNATSHRHSD17B10NR2F2
SCHEMBL16706790 0.88 SMN1; SMN2 (0.48) KDM4ELMNATSHRHSD17B10SMN1; SMN2
SCHEMBL16706700 0.87 SMN1; SMN2 (0.44) KDM4ETSHRHSD17B10SMN1; SMN2MAPT
SCHEMBL16706713 0.87 SMN1; SMN2 (0.52) KDM4ELMNATSHRHSD17B10SMN1; SMN2
SCHEMBL16706801 0.87 ALDH1A1 (0.42) LMNATSHRSMN1; SMN2SCD5MAPT
SCHEMBL16706847 0.86 TSHR (0.40) KDM4ELMNATSHRHSD17B10SMN1; SMN2
SCHEMBL16710137 0.85 MAPT (0.52) KDM4ELMNASMN1; SMN2SCD5MAPT
SCHEMBL16706818 0.85 SMN1; SMN2 (0.47) KDM4ELMNATSHRSMN1; SMN2MAPT

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 KDM4E 1986/4885LMNA 280/4885TSHR 2005/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 KDM4E 2399/4885LMNA 214/4885TSHR 2085/4885

“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.