SCHEMBL1728009

SCHEMBL1728009

O=C(O)c1ccc(CCc2c(C(=O)O)oc3cccc(O)c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.45
HTR3A P46098 1/20 0.45
MCL1 Q07820 3/20 0.43
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR2C P28335 1/20 0.38
PPARA Q07869 1/20 0.38
HPGD P15428 2/20 0.37
EDNRA P25101 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GFER P55789 1/20 0.37
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL25304152 0.77 LCK (0.46) HTR2BHTR3AMCL1LMNAMAPT
SCHEMBL1474617 0.77 MAPT (0.52) HTR2BHTR3AMCL1LMNAMAPT
SCHEMBL1727425 0.76 MBOAT4 (0.49) HTR2BHTR3APPARA
SCHEMBL4670194 0.71 MCL1 (0.68) MCL1TSHRNPC1RAB9AHPGD
SCHEMBL70166 0.70 TSHR (0.67) MAPTTSHRPPARAMEN1TP53
Terephthalic Acid SCHEMBL4612225 0.70 TSHR (0.67) MAPTTSHRPPARAMEN1TP53
SCHEMBL3611742 0.68 MAPT (0.65) MCL1LMNAMAPTNPC1RAB9A
SCHEMBL1926270 0.68 HDAC1 (0.64) TSHRPPARATP53
SCHEMBL8894364 0.68 HDAC1 (0.64) TSHRPPARATP53
Hydrochloric Acid SCHEMBL7132238 0.68 TSHR (0.63) MAPTTSHRPPARAMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609798-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2012-05-09 EP disclosed
EP-1609798-A9 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-11 EP disclosed
US-7566699-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
CN-100418977-C Fused heterocyclic derivative, pharmaceutical composition containing the same, and pharmaceutical use thereof KISSEI PHARMACEUTICAL (JP) 2008-09-17 CN disclosed
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 US disclosed
CN-1784415-A Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL (JP) 2006-06-07 CN disclosed
EP-1609798-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-12-28 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 (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-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 HTR2B 1490/4885HTR3A 643/4885MCL1 2780/4885

“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.