SCHEMBL20570877

SCHEMBL20570877

O=C(/C=C/c1ccncc1)c1cccnc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.82
CYP1A2 P05177 8/20 0.82
CYP1B1 Q16678 8/20 0.82
CYP3A4 P08684 5/20 0.82
CYP2D6 P10635 5/20 0.82
MAPT P10636 5/20 0.75
PFKFB3 Q16875 1/20 0.71
ALDH1A1 P00352 3/20 0.69
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
LMNA P02545 2/20 0.68
APP P05067 1/20 0.67
GSK3B P49841 1/20 0.67
MAPK1 P28482 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HPGD P15428 1/20 0.60

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
SCHEMBL979408 0.90 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL9503680 0.90 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL31436361 0.87 CYP1A1 (0.77) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL1322027 0.87 CYP1A1 (0.82) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL1322029 0.87 CYP1A1 (0.82) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL1604142 0.87 CYP1A1 (0.77) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL31436369 0.87 CYP1A1 (0.77) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL2705060 0.86 MAPT (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL9804079 0.86 MAPT (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL3024151 0.86 CYP1B1 (0.75) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304597-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2025-10-02 US disclosed
US-20240043440-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2024-02-08 US disclosed
US-20210317132-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-14 US disclosed
US-20210317132-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-14 US disclosed
CN-111132982-A Compositions and methods for modulating short-chain dehydrogenase activity 卡斯西部储备大学 2020-05-08 CN disclosed
EP-3630773-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY Case Western Reserve University (US) 2020-04-08 EP disclosed
WO-2018218251-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2018-11-29 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 (3 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-20250304597-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS CYP1A1 816/4885CYP1A2 463/4885CYP1B1 830/4885
US-20210317132-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS CYP1A1 816/4885CYP1A2 463/4885CYP1B1 830/4885
US-20240043440-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS CYP1A1 816/4885CYP1A2 463/4885CYP1B1 830/4885

“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.