SCHEMBL16706808

SCHEMBL16706808

C=C(c1csc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccc3c(c2)OCO3)n1)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
POLB P06746 2/20 0.37
UBE2M P61081 4/20 0.37
DCUN1D1 Q96GG9 4/20 0.37
NR1H4 Q96RI1 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL16706784 0.95 LMNA (0.46) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16710104 0.92 MAPT (0.46) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16706811 0.90 ALDH1A1 (0.37) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16706765 0.89 KMT2A (0.45) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16706774 0.88 UBE2M (0.40) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16710140 0.88 MAPT (0.50) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16706833 0.88 TSHR (0.45) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16706864 0.87 UBE2M (0.39) MAPTLMNAHTTMAPK1SMN1; SMN2
SCHEMBL16706747 0.87 UBE2M (0.45) MAPTLMNASMN1; SMN2UBE2MDCUN1D1
SCHEMBL16706847 0.84 TSHR (0.40) MAPTLMNAHTTMAPK1SMN1; SMN2

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 MAPT 1807/4885LMNA 280/4885HTT 4342/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 MAPT 1886/4885LMNA 214/4885HTT 4484/4885

“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.