SCHEMBL16710100

SCHEMBL16710100

COc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)NCc3ccc(F)cc3)cs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2C9 P11712 4/20 0.55
CYP2C19 P33261 4/20 0.55
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 4/20 0.51
CYP2D6 P10635 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 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
SCHEMBL16710089 0.94 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16710087 0.93 SMN1; SMN2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16710131 0.91 TDP1 (0.50) SMN1; SMN2MAPTHTTLMNAHPGD
SCHEMBL16710055 0.90 MAPT (0.62) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL16706803 0.90 ALDH1A1 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16710133 0.89 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16706776 0.88 MMP13 (0.61) SMN1; SMN2ALDH1A1HPGDKMT2AMMP1
SCHEMBL18939745 0.88 RAB9A (0.48) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16710031 0.87 SMN1; SMN2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL16710127 0.86 RAB9A (0.48) 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.