SCHEMBL18940547

SCHEMBL18940547

COc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
SCD5 Q86SK9 1/20 0.48
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ESR1 P03372 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 5/20 0.46
HTT P42858 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
LMNA P02545 6/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
BMP1 P13497 1/20 0.43
POLB P06746 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
SCHEMBL16706870 0.94 NR1H4 (0.48) TSHRSCD5HSD17B10KDM4EESR1
SCHEMBL16710103 0.94 SCD5 (0.47) TSHRSCD5HSD17B10KDM4EESR1
SCHEMBL16710135 0.92 NPSR1 (0.49) TSHRSCD5HSD17B10KDM4ESMN1; SMN2
SCHEMBL16710140 0.92 MAPT (0.50) TSHRSCD5HSD17B10SMN1; SMN2MAPT
SCHEMBL16706833 0.92 TSHR (0.45) TSHRSCD5HSD17B10KDM4EESR1
SCHEMBL16710104 0.88 MAPT (0.46) TSHRSCD5HSD17B10SMN1; SMN2MAPT
SCHEMBL16706812 0.86 KMT2A (0.47) SCD5SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL16706802 0.86 MAPT (0.51) HSD17B10KDM4ESMN1; SMN2MAPTHTT
SCHEMBL18427096 0.86 LMNA (0.42) TSHRSCD5HSD17B10KDM4ESMN1; SMN2
SCHEMBL16706847 0.86 TSHR (0.40) TSHRSCD5HSD17B10KDM4EESR1

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 TSHR 2005/4885SCD5 2633/4885HSD17B10 742/4885

“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.