SCHEMBL20467415

SCHEMBL20467415

O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1CO

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.63
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ NAMPT P43490 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PDK2 Q15119 1/20 0.49
▸ SPHK2 Q9NRA0 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ MCOLN3 Q8TDD5 1/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL20467512 0.84 HPGD (0.67) HPGDNPC1RAB9ANAMPTALDH1A1
SCHEMBL20467511 0.79 HPGD (0.77) HPGDNPC1RAB9ANAMPTALDH1A1
SCHEMBL20467485 0.79 HPGD (0.97) HPGDNPC1RAB9ANAMPTALDH1A1
SCHEMBL17600738 0.78 SPHK2 (0.59) HPGDNPC1RAB9ANAMPTMEN1
SCHEMBL17600741 0.78 SPHK2 (0.59) HPGDNPC1RAB9ANAMPTMEN1
SCHEMBL26322484 0.78 NPC1 (0.55) NPC1RAB9AMEN1KMT2APDK2
SCHEMBL15583893 0.78 HPGD (1.00) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL20467460 0.78 HPGD (1.00) HPGDNPC1RAB9AALDH1A1MAPT
SCHEMBL8341295 0.77 SPHK2 (0.62) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL1457983 0.77 HPGD (0.55) HPGDNPC1RAB9ANAMPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE CASE WESTERN RESERVE UNIVERSITY 2023-10-12 — — US disclosed
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE CASE WESTERN RESERVE UNIVERSITY 2023-10-12 — — US disclosed
US-20230310390-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING NEURODEGENERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-10-05 — — US disclosed
US-20230310390-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING NEURODEGENERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-10-05 — — US disclosed
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase CASE WESTERN RESERVE UNIVERSITY (US) 2023-08-08 — — US disclosed
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase CASE WESTERN RESERVE UNIVERSITY (US) 2023-08-08 — — US disclosed
US-20230052363-A1 COMPOSITIONS AND METHODS FOR TREATING RENAL INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-02-16 — — US disclosed
US-20200095206-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2020-03-26 — — US disclosed
WO-2018145080-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2018-08-09 — — 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 (5 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-20230310390-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING NEURODEGENERATION GCDH, HPGD, HAGH HPGD 2/4885NPC1 1045/4885RAB9A 2967/4885
US-20200095206-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS HPGD 1/4885NPC1 2242/4885RAB9A 3884/4885
US-20230052363-A1 COMPOSITIONS AND METHODS FOR TREATING RENAL INJURY GLS, REN, PTGS1 HPGD 4/4885NPC1 2517/4885RAB9A 1973/4885
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase HPGD, GCDH, HPGDS HPGD 1/4885NPC1 2242/4885RAB9A 3884/4885
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS HPGD 1/4885NPC1 2242/4885RAB9A 3884/4885

“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.

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