SCHEMBL16706669

SCHEMBL16706669

Cc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)NC(c3ccccc3)c3ccccc3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.45
MMP13 P45452 5/20 0.45
MMP2 P08253 4/20 0.45
MMP9 P14780 4/20 0.45
HPGDS O60760 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
OGA O60502 1/20 0.40

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
SCHEMBL16706687 0.93 MMP1 (0.45) MMP1MMP13MMP2MMP9TSHR
SCHEMBL16706719 0.90 MMP13 (0.45) MMP1MMP13MMP2MMP9TSHR
SCHEMBL16706705 0.89 OGA (0.48) MMP1MMP13MMP2MMP9TSHR
SCHEMBL16706709 0.88 FAAH (0.48) MMP1MMP13MMP2MMP9TSHR
SCHEMBL16706771 0.87 TDP1 (0.42) MMP1MMP13MMP2MMP9TSHR
SCHEMBL16706708 0.87 TAS1R3 (0.54) MMP1MMP13MMP2MMP9TSHR
SCHEMBL16706691 0.86 KMT2A (0.50) MMP1MMP13MMP2MMP9TSHR
SCHEMBL16706684 0.85 KDM4E (0.42) MMP1MMP13MMP2MMP9TSHR
SCHEMBL16706680 0.85 FAAH (0.54) MMP1MMP13MMP2MMP9TSHR
SCHEMBL16706677 0.84 NPC1 (0.50) MMP1MMP13MMP2MMP9TSHR

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 8 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-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-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-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
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 MMP1 4549/4885MMP13 4810/4885MMP2 4393/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 MMP1 4659/4885MMP13 4844/4885MMP2 4326/4885

“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.