SCHEMBL20508314

SCHEMBL20508314

FC(F)(F)c1nnc(-c2cc3ccccc3[nH]2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
HDAC6 Q9UBN7 3/20 0.43
ITK Q08881 3/20 0.40
CYP19A1 P11511 1/20 0.40
ALOX15 P16050 1/20 0.40
GUSB P08236 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CASP3 P42574 2/20 0.40
KMT2A Q03164 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
CHEK1 O14757 1/20 0.40
KDR P35968 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL20508267 0.85 RAB9A (0.44) RAB9ANPC1ITKCYP19A1ALOX15
SCHEMBL20508334 0.81 KDM4E (0.51) RAB9ANPC1CYP19A1GUSBKDM4E
SCHEMBL21801536 0.78 RAB9A (0.49) RAB9ANPC1ITKCYP19A1ALOX15
SCHEMBL21801476 0.77 GSK3B (0.48) RAB9ANPC1ITKCYP19A1ALOX15
SCHEMBL20508285 0.77 AURKA (0.49) RAB9ANPC1ITKCYP19A1ALOX15
SCHEMBL20508264 0.77 NPC1 (0.61) RAB9ANPC1CYP19A1ALOX15GUSB
SCHEMBL23468385 0.76 NOTUM (0.53) RAB9ANPC1GUSBKDM4EMAPT
SCHEMBL20508319 0.75 NPC1 (0.57) RAB9ANPC1CYP19A1ALOX15GUSB
SCHEMBL20508257 0.73 GUSB (0.48) RAB9ANPC1ITKCYP19A1ALOX15
SCHEMBL20508324 0.73 RAB9A (0.44) RAB9ANPC1ITKCYP19A1ALOX15

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 RAB9A 4196/4885NPC1 4195/4885HDAC6 4456/4885
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents CBR3, AOC3, AHR RAB9A 4222/4885NPC1 4255/4885HDAC6 917/4885

“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.