SCHEMBL9712864

SCHEMBL9712864

CCC(C)(CC)c1nnc(NC(=O)c2c(OC)cccc2OC)o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 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
SCHEMBL9712774 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
SCHEMBL9713168 0.74 CYP1A2 (0.64) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
SCHEMBL9713494 0.74 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
SCHEMBL9713194 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
SCHEMBL9712759 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
Isoxaben SCHEMBL54432 0.73 CYP1A2 (0.53) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
SCHEMBL9713505 0.73 CYP1A2 (0.53) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
Isoxaben SCHEMBL8539623 0.73 CYP1A2 (0.53) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
SCHEMBL11105776 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
Isoxaben SCHEMBL9713018 0.72 CYP1A2 (0.52) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688885-B1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER IP GMBH (DE) 2016-06-01 EP disclosed
US-9101141-B2 N-(1,3,4-oxadiazol-2-yl)arylcarboxamides and use thereof as herbicides BAYER INTERLLECTUAL PROPERTY GMBH (DE) 2015-08-11 US disclosed
US-20140080705-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
EP-2688885-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2014-01-29 EP disclosed
WO-2012126932-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-09-27 WO disclosed
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP 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 (1 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-20140080705-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES PRDX4, CBR3, AOX1 ALDH1A1 370/4885KDM4E 1426/4885HSD17B10 1294/4885

“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.