SCHEMBL20508260

SCHEMBL20508260

c1ccc(CCc2nnc(-c3cc4ccccc4[nH]3)o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.50
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ GUSB P08236 3/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ IDO1 P14902 1/20 0.42
▸ EGFR P00533 2/20 0.40
▸ ERBB2 P04626 2/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GPR55 Q9Y2T6 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
SCHEMBL20508261 0.88 RAB9A (0.55) NPC1RAB9ACYP1A2CYP2D6SMN1; SMN2
SCHEMBL20508257 0.82 GUSB (0.48) NPC1RAB9ACYP1A2SMN1; SMN2CYP2C9
SCHEMBL21801569 0.81 GSK3B (0.54) QPCTNPC1RAB9ACYP1A2CYP2D6
SCHEMBL20508270 0.78 PIP4K2A (0.47) NPC1RAB9ASMN1; SMN2GUSBEGFR
SCHEMBL20508264 0.77 NPC1 (0.61) NPC1RAB9ACYP1A2SMN1; SMN2CYP2C9
SCHEMBL21801493 0.76 EGFR (0.58) QPCTNPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL24076799 0.75 GRIN2B (0.52) L3MBTL1CHEK1TSHR
SCHEMBL21801536 0.75 RAB9A (0.49) NPC1RAB9ACYP1A2SMN1; SMN2CYP2C9
SCHEMBL20508319 0.74 NPC1 (0.57) NPC1RAB9ACYP1A2SMN1; SMN2CYP2C9
SCHEMBL20508285 0.74 AURKA (0.49) NPC1RAB9ACYP1A2SMN1; SMN2CYP2C9

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 QPCT 1388/4885NPC1 4195/4885RAB9A 4196/4885
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents CBR3, AOC3, AHR QPCT 674/4885NPC1 4255/4885RAB9A 4222/4885

“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.

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