SCHEMBL19721202

SCHEMBL19721202

CCCCN(CC)C(=O)c1ccc(-c2ccc3c(c2)OCO3)s1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.64
▸ GABRA1 P14867 4/20 0.57
▸ GABRB2 P47870 4/20 0.57
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL3748204 0.75 HDAC6 (0.60) HPGDNPC1RAB9AHDAC6ALDH1A1
SCHEMBL18573454 0.73 HDAC6 (0.55) HPGDNPC1RAB9AHDAC6ALDH1A1
SCHEMBL3086968 0.72 HDAC6 (0.85) HPGDNPC1RAB9AHDAC6ALDH1A1
SCHEMBL18573453 0.71 RAB9A (0.60) HPGDNPC1RAB9AHDAC6ALDH1A1
SCHEMBL18573590 0.70 NPC1 (0.62) HPGDNPC1RAB9AHDAC6ALDH1A1
SCHEMBL21230173 0.68 ALDH1A1 (0.39) HPGDNPC1RAB9AHDAC6ALDH1A1
SCHEMBL18573642 0.68 NPC1 (0.63) HPGDNPC1RAB9AHDAC6ALDH1A1
SCHEMBL6246675 0.68 HDAC6 (0.72) HPGDNPC1RAB9AHDAC6ALDH1A1
SCHEMBL21230117 0.68 ALDH1A1 (0.38) HPGDNPC1RAB9AHDAC6ALDH1A1
SCHEMBL25093334 0.67 SMN1; SMN2 (0.44) HPGDNPC1RAB9AHDAC6ALDH1A1

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-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
EP-3257510-A1 LACTATE DEHYDROGENASE INHIBITOR AND ANTIEPILEPTIC DRUG CONTAINING SAME National University Corporation Okayama University (JP) 2017-12-20 — — EP 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 117/4885GABRA1 706/4885GABRB2 439/4885
US-10350192-B2 Lactate dehydrogenase inhibitor and antiepileptic drug containing the same LDHA, LDHB, ALDH5A1 HPGD 117/4885GABRA1 706/4885GABRB2 439/4885

“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.

Send feedback