SCHEMBL1311543

SCHEMBL1311543

O=C(NCc1ccco1)[C@H](Cc1ccccc1)N(Cc1ccncc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 1/20 0.49
USP2 O75604 1/20 0.48
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4D Q6B0I6 1/20 0.44

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
SCHEMBL1311799 0.79 ALDH1A1 (0.47) KMT2AMEN1GAAALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL1310404 0.78 ALDH1A1 (0.46) KMT2AMEN1GAAALDH1A1CYP3A4
SCHEMBL1310767 0.78 CYP3A4 (0.46) KMT2AMEN1ALDH1A1CYP3A4TSHR
SCHEMBL1311175 0.77 LAP3 (0.52) KMT2AMEN1PKMALDH1A1CYP3A4
SCHEMBL1311161 0.76 ALDH1A1 (0.47) KMT2AMEN1GAAALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL1311848 0.76 LAP3 (0.51) KMT2AMEN1PKMALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL1311058 0.76 ALDH1A1 (0.46) KMT2AMEN1GAAALDH1A1CYP3A4
SCHEMBL1311414 0.75 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1CYP3A4TSHR
SCHEMBL1311546 0.74 GPR142 (0.52) KMT2APKMALDH1A1CYP3A4HTT
SCHEMBL1311477 0.74 GPR142 (0.52) KMT2APKMALDH1A1CYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (SE) 2011-11-10 US claimed

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-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ADIPOR2, GPR119, ADIPOR1 KMT2A 2294/4885MEN1 3508/4885GAA 3398/4885

“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.