SCHEMBL20508324

SCHEMBL20508324

CC(C)c1nnc(-c2cc3ccccc3[nH]2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
ESR1 P03372 1/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
ITK Q08881 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
CYP19A1 P11511 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LRRK2 Q5S007 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
SCHEMBL9390542 0.85 RAB9A (0.44) RAB9ANPC1AURKAAURKBESR1
SCHEMBL9221646 0.81 KDR (0.49) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL20508285 0.80 AURKA (0.49) RAB9ANPC1AURKAAURKBESR1
SCHEMBL21801536 0.78 RAB9A (0.49) RAB9ANPC1AURKAAURKBESR1
SCHEMBL21801476 0.77 GSK3B (0.48) RAB9ANPC1AURKAAURKBESR1
SCHEMBL20508264 0.77 NPC1 (0.61) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL20508267 0.77 RAB9A (0.44) RAB9ANPC1AURKAAURKBESR1
SCHEMBL20508257 0.77 GUSB (0.48) RAB9ANPC1AURKAAURKBESR1
SCHEMBL20508265 0.75 HPGD (0.60) RAB9ANPC1AURKAAURKBKDM4E
SCHEMBL20508319 0.75 NPC1 (0.57) RAB9ANPC1KDM4EMAPTMEN1

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 4195/4885AURKA 867/4885
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents CBR3, AOC3, AHR RAB9A 4222/4885NPC1 4255/4885AURKA 1622/4885

“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.