SCHEMBL8987

SCHEMBL8987

O=C(O)c1cc2cc(C(=O)N3CCOCC3)ccc2n1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
HPGD P15428 4/20 0.49
HRH3 Q9Y5N1 1/20 0.48
MYC P01106 1/20 0.48
LDHA P00338 1/20 0.48
PHGDH O43175 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DAO P14920 1/20 0.47
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
TSHR P16473 1/20 0.46
CNR1 P21554 1/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL8628 0.78 LDHA (0.63) HPGDLDHAGAASMN1; SMN2DAO
SCHEMBL7798 0.74 DAO (0.62) HPGDLDHASMN1; SMN2DAOTSHR
SCHEMBL4696938 0.73 HPGD (0.72) PKMHPGDPHGDHSMN1; SMN2TSHR
SCHEMBL31429021 0.73 FASN (0.55) PKMHPGDPHGDHGAAHSP90AA1
SCHEMBL20021992 0.73 TSHR (0.68) PKMHPGDGAATSHR
SCHEMBL31428791 0.73 TSHR (0.68) PKMHPGDGAATSHR
SCHEMBL10720943 0.73 PHGDH (0.81) PKMHPGDPHGDHSMN1; SMN2TSHR
SCHEMBL3538545 0.72 HRH3 (0.71) PKMHPGDHRH3PHGDHKMT2A
SCHEMBL30547738 0.72 HPGD (0.58) HPGDSMN1; SMN2TSHRKMT2A
SCHEMBL31428915 0.72 HPGD (0.50) PKMHPGDHRH3PHGDHGAA

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-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 US disclosed
EP-2499114-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Universita Di Pisa (IT) 2012-09-19 EP disclosed
WO-2011054525-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITA' DI PISA (IT) 2011-05-12 WO 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-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LDHA, LDHB, DLD PKM 97/4885HPGD 68/4885HRH3 1241/4885

“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.