SCHEMBL20467445

SCHEMBL20467445

COc1ccc(-c2cc(-c3cccnc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.66
HPGD P15428 10/20 0.66
KDM4E B2RXH2 9/20 0.66
HSD17B10 Q99714 7/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
TSHR P16473 3/20 0.66
CASP1 P29466 3/20 0.66
CASP7 P55210 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
MAPT P10636 5/20 0.64
MAPK1 P28482 3/20 0.64
NPSR1 Q6W5P4 5/20 0.54
LMNA P02545 5/20 0.54
HTT P42858 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
GAA P10253 2/20 0.49

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
SCHEMBL20467399 0.90 HPGD (0.69) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL20467427 0.90 ALDH1A1 (0.80) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL20467442 0.89 HPGD (0.70) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL20467459 0.86 HPGD (0.69) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL20467452 0.85 HPGD (0.63) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL20467416 0.84 HPGD (0.67) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL20467449 0.84 HPGD (0.67) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL20467346 0.84 HPGD (0.68) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL20467417 0.83 HPGD (0.68) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL20467451 0.83 HPGD (0.65) ALDH1A1HPGDKDM4EHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020091-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR REDUCING GLIAL FIBRILLARY ACIDIC PROTEIN LEVELS CASE WESTERN RESERVE UNIVERSITY (US) 2024-01-25 WO disclosed
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 ALDH1A1 86/4885HPGD 2/4885KDM4E 3208/4885
US-20200095206-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS ALDH1A1 136/4885HPGD 1/4885KDM4E 3261/4885
US-20230052363-A1 COMPOSITIONS AND METHODS FOR TREATING RENAL INJURY GLS, REN, PTGS1 ALDH1A1 385/4885HPGD 4/4885KDM4E 4152/4885
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase HPGD, GCDH, HPGDS ALDH1A1 136/4885HPGD 1/4885KDM4E 3261/4885
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS ALDH1A1 136/4885HPGD 1/4885KDM4E 3261/4885

“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.