SCHEMBL12830481

SCHEMBL12830481

N#Cc1ccc(-c2scc(NC(=O)c3cc4sccc4s3)c2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
GPR35 Q9HC97 1/20 0.44
GAA P10253 4/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.41
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRSS12 P56730 1/20 0.38
TLK2 Q86UE8 1/20 0.37
DHPS P49366 1/20 0.37

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
SCHEMBL12830995 0.86 GAA (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1490616 0.86 HDAC3 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1908403 0.82 MEN1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1490703 0.76 KMT2A (0.49) HDAC2GPR35GAAALDH1A1POLB
SCHEMBL12830960 0.73 NPC1 (0.49) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL12756885 0.71 FLT3 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL15480683 0.71 CASP3 (0.48) HDAC2RXFP1MEN1KMT2AMAPT
SCHEMBL1490499 0.70 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1490284 0.70 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1490492 0.70 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 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 (2 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HDAC1 2696/4885HDAC3 1653/4885HDAC4 1630/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HDAC1 2696/4885HDAC3 1653/4885HDAC4 1630/4885

“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.