SCHEMBL21237217

SCHEMBL21237217

CC(C)(C)c1cccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ NR1H4 Q96RI1 1/20 0.56
▸ HTT P42858 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ROCK1 Q13464 3/20 0.52
▸ RET P07949 2/20 0.52
▸ CDK2 P24941 2/20 0.52
▸ GSK3B P49841 2/20 0.52
▸ ITK Q08881 2/20 0.52
▸ MERTK Q12866 2/20 0.52
▸ PRKAA1 Q13131 2/20 0.52
▸ MAP3K5 Q99683 2/20 0.52
▸ CYP2C8 P10632 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52

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
SCHEMBL19662750 0.84 NT5E (0.65) ABL1CYP2C8CYP2D6CYP2C9PTK2
SCHEMBL7118764 0.82 ABL1 (0.59) ABL1HTTLMNAMAPTROCK1
SCHEMBL17109843 0.82 HDAC6 (0.63) HDAC8HDAC6NR1H4LMNAMAPT
SCHEMBL19663327 0.82 ABL1 (0.59) ABL1HTTALDH1A1MAPTROCK1
SCHEMBL21237227 0.81 GFER (0.57) ABL1HTTROCK1GFERROCK2
SCHEMBL3380451 0.81 MAPT (0.63) ABL1HTTALDH1A1LMNAMAPT
SCHEMBL22661803 0.79 CYP3A4 (0.64) ABL1HTTLMNAMAPTROCK1
SCHEMBL25135525 0.79 ABL1 (0.71) HDAC8HDAC6ABL1HTTALDH1A1
SCHEMBL16881794 0.78 NPC1 (0.75) HDAC8HDAC6ALDH1A1LMNAMAPT
SCHEMBL12201888 0.77 HDAC8 (0.74) HDAC8HDAC6NR1H4HTTLMNA

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-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 — — US disclosed
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 — — US disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 — — 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 (3 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-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP HDAC8 51/4885HDAC6 22/4885ABL1 519/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP HDAC8 51/4885HDAC6 22/4885ABL1 519/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP HDAC8 51/4885HDAC6 22/4885ABL1 519/4885

“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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