SCHEMBL20508344

SCHEMBL20508344

c1ccc2c(c1)cc1cnncn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
HPGD P15428 4/20 0.33
TSHR P16473 4/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
CYP19A1 P11511 1/20 0.32
TOP2A P11388 1/20 0.32
AMY1A P0DUB6 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALOX15 P16050 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL5509760 0.73 SLC6A2 (0.39) SMN1; SMN2HPGDTSHRHSD17B10TP53
SCHEMBL4756741 0.72 CYP19A1 (0.40) HPGDHSD17B10ALDH1A1MAPTCYP19A1
SCHEMBL38659921 0.72 CYP19A1 (0.40) HPGDHSD17B10ALDH1A1MAPTCYP19A1
SCHEMBL30307422 0.67 ALDH1A1 (0.42) SMN1; SMN2HPGDHSD17B10ALDH1A1KMT2A
SCHEMBL4499694 0.67 KMT2A (0.35) SMN1; SMN2HPGDTSHRALDH1A1KMT2A
SCHEMBL64923 0.67 ALDH1A1 (0.42) SMN1; SMN2HPGDHSD17B10ALDH1A1KMT2A
SCHEMBL1599024 0.67 CYP11B2 (0.47) HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL29505892 0.67 CYP11B2 (0.47) HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL11540740 0.67 CYP11B2 (0.47) HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL11777181 0.66 NPC1 (0.47) SMN1; SMN2HPGDTSHRHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143192-A1 NEW TRIAZINOINDOLE COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-03-08 EP disclosed
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents NORTHERN ILLINOIS RESEARCH FOUNDATION (US) 2021-06-08 US disclosed
US-20180271098-A1 OXADIAZOLE AND PHENOL DERIVATIVES AS ANTIBACTERIAL AND/OR HERBICIDAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-09-27 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 (2 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-20180271098-A1 OXADIAZOLE AND PHENOL DERIVATIVES AS ANTIBACTERIAL AND/OR HERBICIDAL AGENTS CMPK1, IPMK, ITPA SMN1; SMN2 4256/4885TNKS2 1810/4885PARP2 3271/4885
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents CBR3, AOC3, AHR SMN1; SMN2 3949/4885TNKS2 4655/4885PARP2 4617/4885

“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.