SCHEMBL13249063

SCHEMBL13249063

CC(C)(C)c1cc(Cl)c(F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB2 P47870 2/20 0.40
GABRA1 P14867 1/20 0.40
POLB P06746 2/20 0.37
CYP2C19 P33261 2/20 0.34
GABRA2 P47869 1/20 0.33
ACLY P53396 1/20 0.33
HTR1D P28221 1/20 0.32
TSHR P16473 2/20 0.32
AR P10275 1/20 0.32
PDE2A O00408 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APEX1 P27695 1/20 0.31

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
SCHEMBL24610551 0.88 GABRB2 (0.36) GABRB2GABRA1POLBCYP2C19GABRA2
SCHEMBL21513951 0.86 GABRB2 (0.34) GABRB2GABRA1POLBCYP2C19GABRA2
SCHEMBL22861003 0.81 CYP2C19 (0.35) GABRB2GABRA1CYP2C19ACLY
SCHEMBL24610569 0.78 GABRB2 (0.36) GABRB2GABRA1POLBCYP2C19GABRA2
SCHEMBL13249069 0.78 ALDH1A1 (0.45) GABRB2GABRA1POLBCYP2C19ACLY
SCHEMBL668872 0.76 PDE2A (0.41) GABRB2GABRA1POLBCYP2C19GABRA2
SCHEMBL1755242 0.76 POLB (0.44) GABRB2GABRA1POLBCYP2C19GABRA2
SCHEMBL13166875 0.76 GABRB2 (0.42) GABRB2GABRA1POLBCYP2C19GABRA2
SCHEMBL12724897 0.75 GABRB2 (0.37) GABRB2GABRA1POLBCYP2C19GABRA2
SCHEMBL24610554 0.74 GABRB2 (0.40) GABRB2GABRA1POLBCYP2C19GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-11384066-B1 Heterocyclic compounds useful as aurora a selective inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-07-12 US disclosed
US-9095138-B2 Isoxazoline insecticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-08-04 US disclosed
US-20150098928-A9 ISOXAZOLINE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-04-09 US disclosed
US-20140127165-A1 ISOXAZOLINE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-05-08 US disclosed
US-8623875-B2 Isoxazoline insecticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 US disclosed
US-20100179195-A1 ISOXAZOLINE INSECTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-07-15 US disclosed
US-20100179195-A1 ISOXAZOLINE INSECTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-07-15 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 (5 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-11384066-B1 Heterocyclic compounds useful as aurora a selective inhibitors AURKA, AURKC, AURKB GABRB2 4639/4885GABRA1 4504/4885POLB 1600/4885
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS AURKA, AURKC, AURKB GABRB2 4674/4885GABRA1 4455/4885POLB 2327/4885
US-20150098928-A9 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 GABRB2 1307/4885GABRA1 903/4885POLB 4204/4885
US-20140127165-A1 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 GABRB2 1307/4885GABRA1 903/4885POLB 4204/4885
US-20100179195-A1 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 GABRB2 1307/4885GABRA1 903/4885POLB 4204/4885

“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.