SCHEMBL20508261

SCHEMBL20508261

c1ccc(Cc2nnc(-c3cc4ccccc4[nH]3)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ GPR55 Q9Y2T6 1/20 0.55
▸ EGFR P00533 5/20 0.52
▸ ERBB2 P04626 2/20 0.52
▸ GUSB P08236 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ IDO1 P14902 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ITK Q08881 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ KDR P35968 1/20 0.41

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
SCHEMBL20508260 0.88 QPCT (0.50) RAB9ANPC1HPGDSMN1; SMN2TSHR
SCHEMBL20508257 0.83 GUSB (0.48) RAB9ANPC1HPGDSMN1; SMN2EGFR
SCHEMBL20508270 0.80 PIP4K2A (0.47) RAB9ANPC1HPGDSMN1; SMN2TSHR
SCHEMBL20508264 0.78 NPC1 (0.61) RAB9ANPC1HPGDSMN1; SMN2TSHR
SCHEMBL21801493 0.77 EGFR (0.58) RAB9ANPC1HPGDSMN1; SMN2TSHR
SCHEMBL21801569 0.76 GSK3B (0.54) RAB9ANPC1HPGDSMN1; SMN2TSHR
SCHEMBL24076799 0.76 GRIN2B (0.52) TSHRL3MBTL1MAPK1ALDH1A1CHEK1
SCHEMBL21801536 0.76 RAB9A (0.49) RAB9ANPC1HPGDSMN1; SMN2GUSB
SCHEMBL20508319 0.75 NPC1 (0.57) RAB9ANPC1HPGDSMN1; SMN2TSHR
SCHEMBL20508285 0.75 AURKA (0.49) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1

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 4195/4885HPGD 808/4885
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents CBR3, AOC3, AHR RAB9A 4222/4885NPC1 4255/4885HPGD 778/4885

“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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