SCHEMBL17471435

SCHEMBL17471435

COc1ccc(/C=N/c2cc(C)cc(C)c2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.51
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAOB P27338 2/20 0.43
▸ BLM P54132 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP1B1 Q16678 2/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL16119635 0.86 MAPT (0.57) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL22340656 0.81 ACHE (0.53) MAPTKMT2AALDH1A1MAOBACHE
SCHEMBL4887979 0.76 KMT2A (0.55) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4887982 0.76 KMT2A (0.55) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14604915 0.73 ALDH1A1 (0.44) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL994961 0.72 MAOB (0.66) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL994960 0.72 MAOB (0.66) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL14833643 0.70 MAPT (0.59) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL14833644 0.70 MAPT (0.59) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL135243 0.70 ALDH1A1 (0.66) MAPTMEN1KMT2AHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815825-B2 Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED, INC. (US) 2017-11-14 — — US disclosed
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2016-02-11 — — US disclosed
US-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2016-01-28 — — 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-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS CFTR, SLC47A1, ABCB11 MAPT 3746/4885MEN1 4704/4885KMT2A 4821/4885
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES HSP90B1, HSPD1, HSPE1 MAPT 3834/4885MEN1 3455/4885KMT2A 4677/4885

“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