SCHEMBL5117801

SCHEMBL5117801

O=C(Nc1cccc(C(=O)O)c1O)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
KDM4D Q6B0I6 1/20 0.56
KDM4C Q9H3R0 1/20 0.56
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
PKM P14618 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DHODH Q02127 1/20 0.51
KCNK3 O14649 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC1 Q13547 1/20 0.51
NPC1 O15118 2/20 0.49

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
SCHEMBL30810156 0.89 DHODH (0.63) RAB9AKDM4EKMT2AALDH1A1HTT
SCHEMBL5601228 0.87 PKM (0.68) POLBKDM4DKDM4CRAB9AKDM4E
SCHEMBL18906045 0.86 POLB (0.70) POLBKDM4DKDM4CRAB9AKMT2A
SCHEMBL204144 0.84 HSD17B10 (0.54) POLBRAB9AKDM4EL3MBTL1KMT2A
SCHEMBL3711733 0.82 DHODH (0.57) POLBRAB9AKDM4EKMT2AALDH1A1
SCHEMBL6154631 0.82 DHODH (0.77) RAB9AKDM4EKMT2AALDH1A1PKM
SCHEMBL205170 0.79 PTPN11 (0.62) POLBKDM4DKDM4CKDM4EL3MBTL1
SCHEMBL17769014 0.78 F10 (0.66) POLBRAB9AKMT2AALDH1A1PKM
SCHEMBL207099 0.77 TSHR (0.52) POLBRAB9AKDM4EKMT2AMEN1
SCHEMBL31482309 0.77 POLB (0.71) POLBKDM4DKDM4CRAB9AKMT2A

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
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
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 POLB 409/4885KDM4D 4228/4885KDM4C 4569/4885
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 POLB 1752/4885KDM4D 3084/4885KDM4C 2774/4885
US-10172835-B2 Anticancer agent composition TOP1, TUBB1, TUBA1A POLB 297/4885KDM4D 4316/4885KDM4C 4567/4885

“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.