SCHEMBL20508285

SCHEMBL20508285

Cc1nnc(-c2cc3ccccc3[nH]2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ESR1 P03372 1/20 0.47
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ITK Q08881 3/20 0.43
CASP3 P42574 2/20 0.43

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
SCHEMBL21801536 0.82 RAB9A (0.49) AURKAAURKBRAB9ANPC1ESR1
SCHEMBL20508265 0.82 HPGD (0.60) AURKAAURKBRAB9ANPC1KDM4E
SCHEMBL21801476 0.81 GSK3B (0.48) AURKAAURKBRAB9ANPC1ESR1
SCHEMBL20508264 0.81 NPC1 (0.61) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL9390542 0.80 RAB9A (0.44) AURKAAURKBRAB9ANPC1ESR1
SCHEMBL20508257 0.80 GUSB (0.48) AURKAAURKBRAB9ANPC1ESR1
SCHEMBL20508324 0.80 RAB9A (0.44) AURKAAURKBRAB9ANPC1ESR1
SCHEMBL20508267 0.80 RAB9A (0.44) AURKAAURKBRAB9ANPC1ESR1
SCHEMBL20508319 0.78 NPC1 (0.57) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL20508314 0.77 RAB9A (0.44) AURKAAURKBRAB9ANPC1ESR1

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 AURKA 867/4885AURKB 833/4885RAB9A 4196/4885
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents CBR3, AOC3, AHR AURKA 1622/4885AURKB 1721/4885RAB9A 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.