SCHEMBL20687548

SCHEMBL20687548

COc1nccc2ccc(Cl)c(C(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.33
▸ DYRK1A Q13627 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ CYP3A4 P08684 2/20 0.30
▸ CYP2D6 P10635 2/20 0.30
▸ SLC6A2 P23975 2/20 0.30
▸ SLC6A4 P31645 2/20 0.30
▸ SLC6A3 Q01959 2/20 0.30
▸ APLNR P35414 1/20 0.30
▸ PDCD1 Q15116 2/20 0.30
▸ CD274 Q9NZQ7 2/20 0.30
▸ NFE2L2 Q16236 1/20 0.30

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
SCHEMBL27102702 0.80 CCNB2 (0.36) GRM4DYRK1ACYP3A4CYP2D6SLC6A2
SCHEMBL18544284 0.78 GRM4 (0.34) GRM4DYRK1ALRRK2CYP3A4CYP2D6
SCHEMBL21321500 0.75 LRRK2 (0.33) GRM4DYRK1ALRRK2APLNRNFE2L2
SCHEMBL23620231 0.67 CCNB2 (0.36) LRRK2CYP2D6APLNR
SCHEMBL21376391 0.67 ALDH1A1 (0.37) CYP3A4CYP2D6
SCHEMBL14853043 0.67 CCR1 (0.39) DYRK1ALRRK2APLNR
SCHEMBL21848988 0.66 CD274 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL27102704 0.66 TLR9 (0.36) CYP3A4CYP2D6APLNR
SCHEMBL21563189 0.66 CSNK2A1 (0.36) DYRK1ALRRK2CYP3A4CYP2D6APLNR
SCHEMBL25829653 0.66 TRPA1 (0.38) DYRK1ALRRK2CYP3A4CYP2D6APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364254-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 — — US disclosed
US-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-31 — — 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-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS CFTR, MRPL21, CLPP GRM4 4662/4885DYRK1A 2854/4885LRRK2 1504/4885
US-10364254-B2 Compounds for use in antibacterial applications MRPL21, CFTR, NRDC GRM4 4640/4885DYRK1A 3414/4885LRRK2 1633/4885

“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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