SCHEMBL20467331

SCHEMBL20467331

O=C(c1cc2nc(-c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)n2n1)N1CCCCC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.82
HSD17B10 Q99714 8/20 0.82
KDM4E B2RXH2 9/20 0.78
ALDH1A1 P00352 8/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
TSHR P16473 2/20 0.78
CASP1 P29466 2/20 0.78
CASP7 P55210 2/20 0.78
CYP1A2 P05177 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2C9 P11712 1/20 0.78
CYP2C19 P33261 1/20 0.78
MAPT P10636 2/20 0.72
RAB9A P51151 2/20 0.68
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
USP2 O75604 1/20 0.67
ALOX15 P16050 1/20 0.67
HTT P42858 1/20 0.67

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
SCHEMBL1718534 0.92 HPGD (0.98) HPGDHSD17B10KDM4EALDH1A1MEN1
SCHEMBL20467501 0.92 HPGD (0.82) HPGDHSD17B10KDM4EALDH1A1MEN1
SCHEMBL4216921 0.92 HPGD (0.98) HPGDHSD17B10KDM4EALDH1A1MEN1
SCHEMBL20467322 0.91 HSD17B10 (0.98) HPGDHSD17B10KDM4EALDH1A1MEN1
SCHEMBL16615188 0.91 HPGD (0.81) HPGDHSD17B10KDM4EALDH1A1MEN1
SCHEMBL1719057 0.91 HPGD (0.81) HPGDHSD17B10KDM4EALDH1A1MEN1
SCHEMBL4201038 0.91 HPGD (0.81) HPGDHSD17B10KDM4EALDH1A1MEN1
SCHEMBL16614838 0.91 HPGD (0.81) HPGDHSD17B10KDM4EALDH1A1MEN1
SCHEMBL1718773 0.90 HSD17B10 (0.98) HPGDHSD17B10KDM4EALDH1A1MEN1
SCHEMBL4213946 0.90 HSD17B10 (0.98) HPGDHSD17B10KDM4EALDH1A1MEN1

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 2/4885HSD17B10 12/4885KDM4E 3208/4885
US-20200095206-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS HPGD 1/4885HSD17B10 21/4885KDM4E 3261/4885
US-20230052363-A1 COMPOSITIONS AND METHODS FOR TREATING RENAL INJURY GLS, REN, PTGS1 HPGD 4/4885HSD17B10 217/4885KDM4E 4152/4885
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase HPGD, GCDH, HPGDS HPGD 1/4885HSD17B10 21/4885KDM4E 3261/4885
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS HPGD 1/4885HSD17B10 21/4885KDM4E 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.