SCHEMBL20508334

SCHEMBL20508334

FC(F)(F)c1ccc(-c2nnc(-c3cc4ccccc4[nH]3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 2/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
GSK3B P49841 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 3/20 0.42
CYP2C9 P11712 2/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42

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
SCHEMBL23468384 0.87 S1PR1 (0.51) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL20508319 0.85 NPC1 (0.57) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL20508264 0.84 NPC1 (0.61) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL20508265 0.82 HPGD (0.60) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL20508275 0.82 RAB9A (0.65) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL23468385 0.82 NOTUM (0.53) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL4893046 0.81 NPC1 (0.65) KDM4EALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL30047184 0.81 NPC1 (0.65) KDM4EALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL20508314 0.81 RAB9A (0.44) KDM4EALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL20508325 0.79 KDM4E (0.68) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10

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
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents NORTHERN ILLINOIS RESEARCH FOUNDATION (US) 2021-06-08 US 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 KDM4E 276/4885ALDH1A1 3151/4885CYP1A2 1322/4885
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents CBR3, AOC3, AHR KDM4E 2652/4885ALDH1A1 594/4885CYP1A2 46/4885

“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.