SCHEMBL20508319

SCHEMBL20508319

c1ccc(-c2ccc(-c3nnc(-c4cc5ccccc5[nH]4)o3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.57
RAB9A P51151 14/20 0.57
SMN1; SMN2 Q16637 8/20 0.52
HPGD P15428 6/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
HSD17B10 Q99714 2/20 0.50
GLA P06280 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP19A1 P11511 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL20508264 0.97 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL20508272 0.91 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL20508265 0.88 HPGD (0.60) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL20508275 0.88 RAB9A (0.65) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL23468384 0.85 S1PR1 (0.51) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL20508325 0.85 KDM4E (0.68) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL20508334 0.85 KDM4E (0.51) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL20508322 0.83 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL20508266 0.83 RAB9A (0.56) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL12798183 0.82 CASP3 (0.51) NPC1RAB9ASMN1; SMN2HPGDKDM4E

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.