SCHEMBL20508322

SCHEMBL20508322

Clc1cccc(-c2nnc(-c3cc4ccccc4[nH]3)o2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TP53 P04637 2/20 0.61
TSHR P16473 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
PIM1 P11309 1/20 0.51
GUSB P08236 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP3 P42574 1/20 0.50

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
SCHEMBL20508275 0.86 RAB9A (0.65) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL20508272 0.86 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL20508264 0.86 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL20508266 0.84 RAB9A (0.56) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL20508319 0.83 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL20508317 0.82 NOTUM (0.47) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL30048239 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4892343 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12798183 0.80 CASP3 (0.51) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL18650263 0.79 NPC1 (0.89) NPC1RAB9ASMN1; SMN2TP53TSHR

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.