SCHEMBL392880

SCHEMBL392880

CCN(CC)C(=O)c1csc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CD274 Q9NZQ7 1/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
ALOX15 P16050 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50

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
SCHEMBL7102122 0.85 HDAC3 (0.51) C5AR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3319697 0.81 HDAC3 (0.57) C5AR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7540393 0.78 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15574339 0.77 ALDH1A1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19330261 0.76 HDAC3 (0.51) C5AR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29793881 0.75 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1095746 0.75 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5160098 0.75 HDAC3 (0.54) C5AR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29822323 0.74 TP53 (0.69) ALDH1A1HPGDLMNAMAPTTSHR
SCHEMBL610480 0.74 TP53 (0.69) ALDH1A1HPGDLMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573833-A1 Organic semiconductors, their manufacture and semiconductor devices comprising them BASF SE (DE) 2013-03-27 EP disclosed
EP-1961052-B1 ORGANIC SEMICONDUCTORS AND THEIR MANUFACTURE BASF SE (DE) 2013-03-06 EP disclosed
US-8101776-B2 Organic semiconductors and their manufacture BASF SE (DE) 2012-01-24 US disclosed
US-20090299070-A1 Organic Semiconductors and Their Manufacture CLAP CO., LTD. (KR) 2009-12-03 US disclosed
EP-1961052-A1 ORGANIC SEMICONDUCTORS AND THEIR MANUFACTURE Ciba Specialty Chemicals Holding Inc. (CH) 2008-08-27 EP disclosed
WO-2007068618-A1 ORGANIC SEMICONDUCTORS AND THEIR MANUFACTURE CIBA HOLDING INC. (CH) 2007-06-21 WO 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-20090299070-A1 Organic Semiconductors and Their Manufacture YBX1, CDYL, PROX1 C5AR1 3187/4885HDAC3 4525/4885HDAC4 3987/4885

“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.