SCHEMBL16710133

SCHEMBL16710133

O=C(NCc1ccc(F)cc1)c1csc(CN(Cc2ccc(Cl)cc2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 4/20 0.48
MAPK1 P28482 3/20 0.48
TP53 P04637 3/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 3/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL16710125 0.94 HPGD (0.54) CYP1A2CYP3A4CYP2C9ALDH1A1L3MBTL1
SCHEMBL16710128 0.92 HPGD (0.53) CYP1A2CYP3A4CYP2C9ALDH1A1L3MBTL1
SCHEMBL16706778 0.92 TDP1 (0.50) CYP1A2CYP3A4CYP2C9ALDH1A1L3MBTL1
SCHEMBL16710131 0.92 TDP1 (0.50) L3MBTL1HPGDMAPK1TP53MAPT
SCHEMBL18940161 0.91 RAB9A (0.48) ALDH1A1L3MBTL1HPGDMAPK1TP53
SCHEMBL16710100 0.89 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9ALDH1A1HPGD
SCHEMBL18940504 0.87 HPGD (0.46) ALDH1A1HPGDMAPK1TP53HTT
SCHEMBL16710047 0.86 HPGD (0.47) CYP1A2CYP3A4CYP2C9ALDH1A1L3MBTL1
SCHEMBL18427092 0.86 PPARG (0.47) ALDH1A1HPGDMAPK1HTTMMP1
SCHEMBL18427194 0.86 NPC1 (0.49) CYP1A2CYP3A4CYP2C9ALDH1A1L3MBTL1

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 CYP1A2 2116/4885CYP3A4 4245/4885CYP2C9 4143/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 CYP1A2 2050/4885CYP3A4 4312/4885CYP2C9 4541/4885

“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.