SCHEMBL16710089

SCHEMBL16710089

COc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.56
CYP3A4 P08684 4/20 0.56
CYP2C9 P11712 4/20 0.56
CYP2C19 P33261 4/20 0.56
POLB P06746 3/20 0.56
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 4/20 0.52
CYP2D6 P10635 2/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL16710087 0.95 SMN1; SMN2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16710100 0.94 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL18939745 0.91 RAB9A (0.48) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16710031 0.91 SMN1; SMN2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16710024 0.90 TDP1 (0.57) POLBALDH1A1SMN1; SMN2HTTHPGD
SCHEMBL16710127 0.90 RAB9A (0.48) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16706678 0.90 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16710046 0.89 RAB9A (0.47) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16710126 0.89 BMP1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16706675 0.88 RAB9A (0.54) CYP1A2CYP3A4CYP2C9CYP2C19POLB

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.