SCHEMBL19651856

SCHEMBL19651856

CC(C)c1cc(C(=O)N2CCOCC2)c2nc[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 3/20 0.46
▸ HSP90AA1 P07900 3/20 0.46
▸ TAF1 P21675 2/20 0.45
▸ CECR2 Q9BXF3 2/20 0.45
▸ BRD9 Q9H8M2 2/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ ATM Q13315 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FKBP1A P62942 2/20 0.39
▸ BTK Q06187 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL19657112 0.84 HTT (0.47) HSP90AB1HSP90AA1TAF1CECR2BRD9
SCHEMBL17758496 0.81 BRD4 (0.47) HSP90AA1TAF1CECR2BRD9BRD4
SCHEMBL29482223 0.81 BRD4 (0.47) HSP90AA1TAF1CECR2BRD9BRD4
SCHEMBL19651857 0.79 HSP90AB1 (0.54) HSP90AB1HSP90AA1TAF1CECR2BRD9
SCHEMBL19651854 0.76 HSP90AA1 (0.46) HSP90AB1HSP90AA1TAF1CECR2BRD9
SCHEMBL19651852 0.76 BRD4 (0.48) HSP90AB1HSP90AA1TAF1CECR2BRD9
SCHEMBL19657110 0.74 ACACB (0.53) TAF1CECR2BRD9BRD4ALDH1A1
SCHEMBL19651819 0.72 MAPT (0.54) HSP90AB1HSP90AA1ATMRXFP1HTT
SCHEMBL13373365 0.72 HTT (0.47) HTTALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL19657123 0.71 HSP90AA1 (0.46) HSP90AB1HSP90AA1TAF1CECR2BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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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