SCHEMBL18212482

SCHEMBL18212482

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nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
ELANE P08246 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
PREP P48147 1/20 0.38
CTSL P07711 3/20 0.37
CTSK P43235 4/20 0.37
CTSB P07858 1/20 0.37
TSHR P16473 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35
CTSS P25774 1/20 0.34

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
SCHEMBL24698048 0.87 ELANE (0.49) KMT2AHRH2HRH1ELANECA1
SCHEMBL21124846 0.86 KMT2A (0.40) KMT2AHRH2HRH1CA1CA2
SCHEMBL25954752 0.86 ELANE (0.38) KMT2AELANECA1CA2CA7
SCHEMBL25650684 0.86 ELANE (0.38) KMT2AELANECA1CA2CA7
SCHEMBL9101167 0.83 KMT2A (0.43) KMT2AHRH2HRH1ELANECA1
SCHEMBL9101170 0.83 KMT2A (0.43) KMT2AHRH2HRH1ELANECA1
SCHEMBL18212483 0.82 KMT2A (0.48) KMT2AHRH2HRH1ELANECA1
SCHEMBL18212459 0.82 KMT2A (0.45) KMT2AHRH2HRH1ELANECA1
SCHEMBL28673312 0.82 KMT2A (0.48) KMT2AHRH2HRH1ELANECA1
SCHEMBL24425262 0.81 HDAC4 (0.41) ELANECA1CA2CTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3291810-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2022-08-10 EP disclosed
WO-2016179554-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2016-11-10 WO disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 US disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 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-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 KMT2A 84/4885HRH2 1370/4885HRH1 1933/4885

“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.