SCHEMBL1852409

SCHEMBL1852409

CC(=O)NCc1ccc(N)c(I)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HDAC6 Q9UBN7 3/20 0.46
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
KIF11 P52732 2/20 0.42
PDK2 Q15119 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC2 Q92769 3/20 0.40
ASH1L Q9NR48 1/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40

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
SCHEMBL250716 0.85 CYP1A2 (0.46) HDAC1ALDH1A1KDM4EHDAC3HDAC2
SCHEMBL7366509 0.84 KMT2A (0.53) HDAC1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8281923 0.80 KMT2A (0.49) HDAC1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2948305 0.79 HDAC1 (0.48) HDAC1HDAC3HDAC2
SCHEMBL30679783 0.79 HDAC1 (0.48) HDAC1HDAC3HDAC2
SCHEMBL30679781 0.79 HDAC1 (0.48) HDAC1HDAC3HDAC2
SCHEMBL27455721 0.78 ALDH1A1 (0.57) HDAC1KMT2AALDH1A1MAPTKDM4E
SCHEMBL10891686 0.78 ADRB2 (0.35) HDAC1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6821062 0.78 ALDH1A1 (0.58) KMT2AALDH1A1POLB
SCHEMBL10278361 0.77 LOXL2 (0.39) KMT2AALDH1A1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA HDAC1 543/4885KMT2A 2966/4885ALDH1A1 2279/4885

“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.