SCHEMBL3866576

SCHEMBL3866576

O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccccc2Cl)CC1)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.55
▸ TP53 P04637 3/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ LMNA P02545 5/20 0.54
▸ ALDH1A1 P00352 8/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAPT P10636 5/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3870979 0.85 KMT2A (0.58) TSHRTP53CYP3A4CYP2C9CYP2C19
SCHEMBL3872757 0.82 TSHR (0.60) TSHRTP53CYP3A4CYP2C9CYP2C19
SCHEMBL24533663 0.81 USP2 (0.60) TSHRTP53CYP3A4CYP2C9CYP2C19
SCHEMBL3867743 0.80 KMT2A (0.59) TSHRTP53CYP3A4CYP2C9CYP2C19
SCHEMBL3890465 0.77 ALDH1A1 (0.62) TSHRTP53CYP3A4CYP2C9CYP2C19
SCHEMBL2357637 0.77 CYP3A4 (0.61) TSHRTP53CYP3A4CYP2C9CYP2C19
SCHEMBL24533634 0.75 TSHR (0.81) TSHRTP53CYP3A4CYP2C9CYP2C19
SCHEMBL24533635 0.73 CYP3A4 (0.60) TSHRTP53CYP3A4CYP2C9CYP2C19
SCHEMBL2354757 0.71 KMT2A (0.58) TSHRTP53CYP3A4CYP2C9CYP2C19
SCHEMBL24533631 0.71 TSHR (0.70) TSHRTP53CYP3A4CYP2C9CYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US claimed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 — — EP claimed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — WO claimed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 — — US disclosed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 — — EP disclosed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — WO 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-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS CACNA1G, CACNA1C, CACNA1B TSHR 2569/4885TP53 4525/4885CYP3A4 4561/4885

“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.

Send feedback