SCHEMBL20508264

SCHEMBL20508264

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.61
RAB9A P51151 11/20 0.61
SMN1; SMN2 Q16637 8/20 0.55
CYP19A1 P11511 1/20 0.50
ATAD2 Q6PL18 1/20 0.47
HPGD P15428 7/20 0.46
TSHR P16473 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46

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
SCHEMBL20508319 0.97 NPC1 (0.57) NPC1RAB9ASMN1; SMN2CYP19A1ATAD2
SCHEMBL20508272 0.91 NPC1 (0.54) NPC1RAB9ASMN1; SMN2CYP19A1HPGD
SCHEMBL20508265 0.88 HPGD (0.60) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL20508275 0.88 RAB9A (0.65) NPC1RAB9ASMN1; SMN2CYP19A1HPGD
SCHEMBL20508322 0.86 NPC1 (0.61) NPC1RAB9ASMN1; SMN2CYP19A1HPGD
SCHEMBL23468384 0.84 S1PR1 (0.51) NPC1RAB9ASMN1; SMN2CYP19A1HPGD
SCHEMBL20508334 0.84 KDM4E (0.51) NPC1RAB9ASMN1; SMN2CYP19A1HPGD
SCHEMBL20508325 0.84 KDM4E (0.68) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL12798183 0.84 CASP3 (0.51) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL20508317 0.83 NOTUM (0.47) NPC1RAB9ASMN1; SMN2CYP19A1HPGD

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 NPC1 4195/4885RAB9A 4196/4885SMN1; SMN2 4256/4885
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents CBR3, AOC3, AHR NPC1 4255/4885RAB9A 4222/4885SMN1; SMN2 3949/4885

“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.