SCHEMBL8055

SCHEMBL8055

O=C(O)c1cc2c(F)cccc2n1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.54
CCR2 P41597 3/20 0.52
LDHA P00338 5/20 0.48
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
FABP4 P15090 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALB P02768 1/20 0.38
MCL1 Q07820 1/20 0.38
TSHR P16473 1/20 0.37
TTR P02766 1/20 0.36
RORC P51449 1/20 0.35

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
SCHEMBL2324550 0.81 MCL1 (0.56) CCR2FABP4ALDH1A1KDM4EHPGD
SCHEMBL8261 0.79 CCR2 (0.56) DAOCCR2LDHAHDAC4HDAC1
SCHEMBL14118716 0.79 DAO (0.54) DAOCCR2LDHAHDAC4HDAC1
SCHEMBL8260 0.79 DAO (0.59) DAOLDHAHDAC4HDAC1HDAC7
SCHEMBL8347 0.79 LDHA (0.66) DAOCCR2LDHAHDAC4HDAC1
SCHEMBL12466600 0.78 CCR2 (0.61) CCR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8014 0.77 DAO (0.56) DAOCCR2LDHAHDAC4HDAC1
SCHEMBL3283184 0.71 CCR2 (0.60) CCR2ALDH1A1KDM4EMCL1
SCHEMBL7561 0.71 DAO (1.00) DAOCCR2LDHAALDH1A1MCL1
SCHEMBL14118540 0.70 KDM4E (0.68) DAOCCR2LDHAFABP4ALDH1A1

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 DAO 565/4885CCR2 4452/4885LDHA 1/4885

“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.