SCHEMBL16614838

SCHEMBL16614838

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.81
ALDH1A1 P00352 8/20 0.81
HSD17B10 Q99714 7/20 0.81
SMN1; SMN2 Q16637 2/20 0.81
KDM4E B2RXH2 8/20 0.77
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
TSHR P16473 2/20 0.77
CASP1 P29466 2/20 0.77
CASP7 P55210 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
MAPT P10636 2/20 0.71
RAB9A P51151 2/20 0.67
LMNA P02545 2/20 0.66
USP2 O75604 1/20 0.66
ALOX15 P16050 1/20 0.66
HTT P42858 1/20 0.66

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
SCHEMBL16615188 1.00 HPGD (0.81) HPGDALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL20467501 0.91 HPGD (0.82) HPGDALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL4216921 0.91 HPGD (0.98) HPGDALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL1718534 0.91 HPGD (0.98) HPGDALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL20467331 0.91 HPGD (0.82) HPGDALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL1718888 0.90 HPGD (1.00) HPGDALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL4207439 0.90 HPGD (0.83) HPGDALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL4216967 0.90 HPGD (0.74) HPGDALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL4201038 0.90 HPGD (0.81) HPGDALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL1719057 0.90 HPGD (0.81) HPGDALDH1A1HSD17B10SMN1; SMN2KDM4E

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 15 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-20200095206-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2020-03-26 US disclosed
US-20190119282-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2019-04-25 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-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-24 US disclosed
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-24 US disclosed
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-10-27 US disclosed
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-10-27 US disclosed
WO-2015048245-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-02 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 (7 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 86/4885HSD17B10 12/4885
US-20200095206-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS HPGD 1/4885ALDH1A1 136/4885HSD17B10 21/4885
US-20190119282-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 HPGD 333/4885ALDH1A1 2459/4885HSD17B10 4235/4885
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase HPGD, GCDH, HPGDS HPGD 1/4885ALDH1A1 136/4885HSD17B10 21/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 HPGD 333/4885ALDH1A1 2459/4885HSD17B10 4235/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 HPGD 333/4885ALDH1A1 2459/4885HSD17B10 4235/4885
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS HPGD 1/4885ALDH1A1 136/4885HSD17B10 21/4885

“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.