SCHEMBL19001285

SCHEMBL19001285

NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.76
ALDH1A1 P00352 9/20 0.76
KDM4E B2RXH2 8/20 0.76
GAA P10253 5/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
NPC1 O15118 1/20 0.76
RAB9A P51151 1/20 0.76
MAPT P10636 4/20 0.61
LMNA P02545 1/20 0.61
MCOLN3 Q8TDD5 1/20 0.61
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
TLR9 Q9NR96 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CDH1 P12830 1/20 0.56
APC P25054 1/20 0.56
CTNNB1 P35222 1/20 0.56

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
SCHEMBL30555665 0.86 ALDH1A1 (1.00) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL10435158 0.86 ALDH1A1 (0.81) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL6291531 0.86 ALDH1A1 (1.00) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL15665863 0.83 HPGD (0.93) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL15666427 0.83 HPGD (0.93) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL9823141 0.83 ALDH1A1 (0.76) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL10435576 0.83 ALDH1A1 (0.76) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL11623030 0.81 ALDH1A1 (0.82) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL11621542 0.81 ALDH1A1 (0.82) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL10210167 0.81 HPGD (0.51) HPGDALDH1A1KDM4EGAASMN1; SMN2

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
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
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 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 (6 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 2/4885ALDH1A1 86/4885KDM4E 3208/4885
US-20200095206-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS HPGD 1/4885ALDH1A1 136/4885KDM4E 3261/4885
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT HPGD 355/4885ALDH1A1 1374/4885KDM4E 416/4885
US-20230052363-A1 COMPOSITIONS AND METHODS FOR TREATING RENAL INJURY GLS, REN, PTGS1 HPGD 4/4885ALDH1A1 385/4885KDM4E 4152/4885
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase HPGD, GCDH, HPGDS HPGD 1/4885ALDH1A1 136/4885KDM4E 3261/4885
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS HPGD 1/4885ALDH1A1 136/4885KDM4E 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.