SCHEMBL19785181

SCHEMBL19785181

CCN(CCO)C(=O)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 3/20 0.53
ALDH1A1 P00352 3/20 0.52
OPRM1 P35372 4/20 0.52
OPRD1 P41143 3/20 0.52
ABCB11 O95342 1/20 0.52
KCNH2 Q12809 1/20 0.52
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 3/20 0.45
PARP1 P09874 1/20 0.45
LPAR1 Q92633 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43
MLYCD O95822 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL255375 0.89 HPGD (0.67) HPGDTDP1TSHRALDH1A1OPRM1
SCHEMBL30786342 0.89 HPGD (0.67) HPGDTDP1TSHRALDH1A1OPRM1
SCHEMBL18175995 0.82 HPGD (0.54) HPGDTDP1TSHRALDH1A1OPRM1
SCHEMBL21413678 0.81 CDK4 (0.56) HPGDTSHRALDH1A1OPRM1CES2
SCHEMBL1003828 0.80 HPGD (0.66) HPGDTDP1ALDH1A1OPRM1OPRD1
SCHEMBL12852633 0.79 HPGD (0.51) HPGDTDP1TSHRALDH1A1LMNA
SCHEMBL13151192 0.78 HPGD (0.50) HPGDTDP1TSHRALDH1A1LMNA
SCHEMBL20888484 0.78 HPGD (0.50) HPGDTDP1TSHRALDH1A1LMNA
SCHEMBL29519537 0.78 CES2 (0.46) TSHROPRM1CES2CES1LMNA
SCHEMBL4341007 0.77 ITK (0.46) HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350192-B2 Lactate dehydrogenase inhibitor and antiepileptic drug containing the same NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2019-07-16 US disclosed
US-20180015068-A1 LACTATE DEHYDROGENASE INHIBITOR AND ANTIEPILEPTIC DRUG CONTAINING THE SAME NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2018-01-18 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-20180015068-A1 LACTATE DEHYDROGENASE INHIBITOR AND ANTIEPILEPTIC DRUG CONTAINING THE SAME LDHA, LDHB, ALDH5A1 HPGD 117/4885TDP1 2018/4885TSHR 4869/4885
US-10350192-B2 Lactate dehydrogenase inhibitor and antiepileptic drug containing the same LDHA, LDHB, ALDH5A1 HPGD 117/4885TDP1 2018/4885TSHR 4869/4885

“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.