SCHEMBL19651857

SCHEMBL19651857

CC(C)c1cc(C(=O)N2CCOCC2)cc2[nH]cnc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 3/20 0.54
▸ HSP90AA1 P07900 2/20 0.54
▸ TAF1 P21675 1/20 0.45
▸ CECR2 Q9BXF3 1/20 0.45
▸ BRD9 Q9H8M2 1/20 0.45
▸ GLRA1 P23415 1/20 0.44
▸ BTK Q06187 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ ACACB O00763 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ MAP3K7 O43318 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
SCHEMBL19657110 0.84 ACACB (0.53) TAF1CECR2BRD9BTKSMN1; SMN2
SCHEMBL19651856 0.79 HSP90AB1 (0.46) HSP90AB1HSP90AA1TAF1CECR2BRD9
SCHEMBL16860686 0.76 HSP90AA1 (0.72) HSP90AB1HSP90AA1GLRA1SMN1; SMN2ALDH1A1
SCHEMBL19651863 0.76 HSP90AA1 (0.54) HSP90AB1HSP90AA1TAF1CECR2BRD9
SCHEMBL19657112 0.74 HTT (0.47) HSP90AB1HSP90AA1TAF1CECR2BRD9
SCHEMBL14091323 0.74 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL19651820 0.73 PDE9A (0.41) HSP90AB1HSP90AA1CECR2SMN1; SMN2ALDH1A1
SCHEMBL13816278 0.72 HSP90AA1 (0.79) HSP90AB1HSP90AA1SMN1; SMN2ALDH1A1POLB
SCHEMBL17758496 0.72 BRD4 (0.47) HSP90AA1TAF1CECR2BRD9SMN1; SMN2
SCHEMBL29482223 0.72 BRD4 (0.47) HSP90AA1TAF1CECR2BRD9SMN1; SMN2

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-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 — — US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — 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-10183009-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 HSP90AB1 1054/4885HSP90AA1 1632/4885TAF1 437/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 HSP90AB1 1054/4885HSP90AA1 1632/4885TAF1 437/4885

“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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