SCHEMBL19083813

SCHEMBL19083813

COc1cc(C(=O)NCC(=O)OC(C)C)ccc1OCc1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.62
KMT2A Q03164 2/20 0.59
PKM P14618 1/20 0.59
HTT P42858 2/20 0.57
LMNA P02545 1/20 0.57
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
BRD4 O60885 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARG P37231 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47

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
SCHEMBL19075721 0.86 HDAC8 (0.69) HDAC8KMT2APKMHTTLMNA
SCHEMBL19084005 0.79 HTT (0.73) HDAC8KMT2APKMHTTLMNA
SCHEMBL5300850 0.78 HDAC8 (0.68) HDAC8HTTLMNAHDAC1HDAC2
SCHEMBL10719824 0.78 KMT2A (0.65) HDAC8KMT2APKMHTTLMNA
SCHEMBL18998113 0.77 HDAC8 (0.56) HDAC8KMT2APKMHTTLMNA
SCHEMBL19075748 0.75 HTT (0.73) HDAC8HTTLMNAHDAC1RAB9A
SCHEMBL19084007 0.75 HTT (0.73) HDAC8HTTLMNAHDAC1RAB9A
SCHEMBL19083816 0.75 RAB9A (0.55) HDAC8KMT2AHTTLMNAHDAC1
SCHEMBL19049461 0.74 KDM4E (0.59) HDAC8KMT2AHTTLMNAHDAC1
SCHEMBL19075720 0.73 HDAC8 (0.55) HDAC8KMT2AHTTLMNAHDAC1

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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 HDAC8 3496/4885KMT2A 1836/4885PKM 3501/4885

“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.