SCHEMBL5110074

SCHEMBL5110074

OCc1cccnc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.48
KCNN4 O15554 4/20 0.48
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
PRKCI P41743 1/20 0.42
KCNH2 Q12809 2/20 0.41
PDK1 Q15118 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
GAA P10253 1/20 0.38
RORB Q92753 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAP4K1 Q92918 1/20 0.38
KMO O15229 1/20 0.38

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
SCHEMBL2889939 0.87 TRPV1 (0.47) KCNA5KCNN4PDCD1CD274PDK1
SCHEMBL30088096 0.81 IDO1 (0.47) KCNA5KCNN4KCNH2TRPV1
SCHEMBL21805047 0.81 IDO1 (0.47) KCNA5KCNN4KCNH2TRPV1
SCHEMBL30087906 0.81 MAP4K4 (0.51) KCNA5KCNN4KCNH2TRPV1MAP4K1
SCHEMBL5093163 0.81 KCNA5 (0.60) KCNA5KCNN4KCNH2RORB
SCHEMBL21805721 0.81 MAP4K4 (0.51) KCNA5KCNN4KCNH2TRPV1MAP4K1
SCHEMBL30832971 0.79 KDM4E (0.48) KCNA5KCNN4PDK1TRPV1GAA
SCHEMBL7160604 0.79 KDM4E (0.48) KCNA5KCNN4PDK1TRPV1GAA
SCHEMBL16047508 0.78 KCNA5 (0.62) KCNA5KCNH2TSHRMAPK1HSD17B10
SCHEMBL7236603 0.75 PDE4D (0.61) MAPK1

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
EP-2959918-B1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J PHARMA CO LTD (JP) 2019-05-22 EP disclosed
US-10172835-B2 Anticancer agent composition J-PHARMA CO., LTD. (JP) 2019-01-08 US disclosed
US-20160279103-A1 AN ANTICANCER AGENT COMPOSITION J-PHARMA CO., LTD. (JP) 2016-09-29 US disclosed
EP-2959918-A1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J-Pharma Co., Ltd. (JP) 2015-12-30 EP disclosed
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
CN-1293042-C Aromatic amino acid derivative and pharmaceutical composition thereof HITOSHI ENDOU (JP) 2007-01-03 CN disclosed
CN-1630632-A Aromatic amino acid derivative and pharmaceutical composition thereof HITOSHI ENDOU (JP) 2005-06-22 CN disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 EP 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 (3 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-20160279103-A1 AN ANTICANCER AGENT COMPOSITION TUBB1, TUBA1A, TUBA1C KCNA5 4776/4885KCNN4 4818/4885PDCD1 552/4885
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 KCNA5 2395/4885KCNN4 1491/4885PDCD1 915/4885
US-10172835-B2 Anticancer agent composition TOP1, TUBB1, TUBA1A KCNA5 4773/4885KCNN4 4848/4885PDCD1 662/4885

“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.