SCHEMBL4252435

SCHEMBL4252435

Cc1ccc2c(c1)CCCN2C(=O)NCCOc1ccc(C(=S)NO)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ ALDH1A1 P00352 7/20 0.45
▸ MAPT P10636 5/20 0.45
▸ TP53 P04637 4/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL446153 0.91 KDM4E (0.51) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4251082 0.87 MAPT (0.56) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4255199 0.81 RAB9A (0.51) KDM4EALDH1A1MAPTTP53NPSR1
SCHEMBL445811 0.77 MAPT (0.58) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL4251760 0.74 HPGD (0.48) KDM4EMEN1KMT2AALDH1A1ALOX15
SCHEMBL4253914 0.73 NPC1 (0.59) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4247164 0.72 ALDH1A1 (0.51) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL4233071 0.71 ALDH1A1 (0.57) KDM4EALDH1A1MAPTNPSR1TSHR
SCHEMBL4252424 0.71 NAMPT (0.51) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL4249828 0.71 HRH3 (0.49) MEN1KMT2AALDH1A1MAPTHSD17B10

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 KDM4E 369/4885MEN1 4531/4885KMT2A 94/4885

“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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