SCHEMBL4188531

SCHEMBL4188531

O=C(O)C(C(=O)O)c1ccc(CN2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MEN1 O00255 2/20 0.52
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
PGGT1B P53609 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.50
CYP2C19 P33261 1/20 0.49
FAAH O00519 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
IDH1 O75874 1/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 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
SCHEMBL14846677 0.86 FNTA (0.52) KMT2ANPSR1MEN1FNTAFNTB
SCHEMBL28966345 0.86 FNTA (0.52) KMT2ANPSR1MEN1FNTAFNTB
SCHEMBL20353635 0.84 FAAH (0.60) KMT2ANPSR1MEN1FAAH
SCHEMBL1704512 0.84 ALDH1A1 (0.66) KMT2ANPSR1MEN1FNTAFNTB
SCHEMBL4192541 0.84 KMT2A (0.56) KMT2ANPSR1MEN1FNTAFNTB
SCHEMBL24200046 0.83 NPSR1 (0.58) KMT2ANPSR1MEN1FNTAFNTB
SCHEMBL29132085 0.82 SIGMAR1 (0.59) KMT2ANPSR1MEN1FNTAFNTB
SCHEMBL4595454 0.82 KMT2A (0.57) KMT2ANPSR1MEN1FNTAFNTB
SCHEMBL24199876 0.81 SIGMAR1 (0.68) ALDH1A1LMNAFAAHKDM4ETSHR
SCHEMBL4175784 0.81 PDK1 (0.51)

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-20130317041-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-11-28 US disclosed
US-8536182-B2 Benzylpiperazine derivatives and their medical use GLAXO GROUP LIMITED (GB) 2013-09-17 US disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 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-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 KMT2A 3278/4885NPSR1 133/4885MEN1 3996/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 KMT2A 3208/4885NPSR1 136/4885MEN1 3015/4885

“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.