SCHEMBL18940504

SCHEMBL18940504

CC(C)(C)c1ccc(CN(Cc2ccc(F)cc2)Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
MMP1 P03956 2/20 0.45
MMP13 P45452 2/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
CRHBP P24387 1/20 0.45
RECQL P46063 1/20 0.45
CRHR2 Q13324 1/20 0.45
GALR3 O60755 1/20 0.45
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL16710084 0.95 HPGD (0.49) HPGDMAPK1RAB9AKMT2AGALR3
SCHEMBL16706672 0.93 TDP1 (0.54) HPGDMAPK1HTTRAB9AKMT2A
SCHEMBL16710131 0.88 TDP1 (0.50) HPGDMAPK1HTTMMP1MMP13
SCHEMBL16710133 0.87 CYP1A2 (0.48) HPGDMAPK1HTTMMP1MMP13
SCHEMBL16710100 0.86 CYP1A2 (0.55) HPGDHTTMMP1MMP13MMP2
SCHEMBL18940507 0.86 KMT2A (0.49) HPGDMAPK1HTTRAB9AKMT2A
SCHEMBL16710024 0.85 TDP1 (0.57) HPGDMAPK1HTTKMT2ATP53
SCHEMBL18427092 0.85 PPARG (0.47) HPGDMAPK1HTTMMP1MMP13
SCHEMBL16706702 0.85 RAB9A (0.41) HPGDMAPK1MMP1MMP13MMP2
SCHEMBL16710043 0.85 ALDH1A1 (0.45) HPGDMAPK1HTTMMP1MMP13

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 HPGD 1757/4885MAPK1 1087/4885HTT 4342/4885

“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.