SCHEMBL4248684

SCHEMBL4248684

COc1cc(Cl)ccc1C(=O)NCCOc1ccc(C(=S)NO)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
MAPT P10636 4/20 0.63
LMNA P02545 2/20 0.63
HPGD P15428 1/20 0.63
NPC1 O15118 6/20 0.53
MEN1 O00255 2/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BRD4 O60885 1/20 0.46
ATM Q13315 1/20 0.45
FLT1 P17948 1/20 0.45

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
SCHEMBL446564 0.90 KMT2A (0.67) KMT2AMAPTLMNAHPGDNPC1
SCHEMBL4258469 0.84 ALDH1A1 (0.53) KMT2AMAPTLMNAHPGDNPC1
SCHEMBL4250302 0.83 NPC1 (0.56) KMT2AMAPTLMNAHPGDNPC1
SCHEMBL4255588 0.81 TP53 (0.58) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL4250755 0.79 NPC1 (0.69) KMT2AMAPTLMNAHPGDNPC1
SCHEMBL4253188 0.79 KMT2A (0.53) KMT2AMAPTNPC1MEN1RAB9A
SCHEMBL4253914 0.77 NPC1 (0.59) KMT2AMAPTLMNAHPGDNPC1
SCHEMBL4253856 0.76 MEN1 (0.50) KMT2AMAPTLMNAHPGDNPC1
SCHEMBL4250461 0.76 NPC1 (0.57) KMT2AHPGDNPC1MEN1RAB9A
SCHEMBL4255648 0.76 HDAC3 (0.55) HPGDNPC1RAB9ASMN1; SMN2HDAC1

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 KMT2A 94/4885MAPT 2673/4885LMNA 2081/4885

“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.