SCHEMBL5129796

SCHEMBL5129796

CCC(=O)CCCCC[C@H](NC(=O)c1cn[nH]c1)C(=O)NCc1csc(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 2/20 0.41
HDAC1 Q13547 7/20 0.40
HDAC3 O15379 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC6 Q9UBN7 4/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
DNM1L O00429 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MME P08473 1/20 0.38

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
SCHEMBL27715265 1.00 ROCK2 (0.49) ROCK2ROCK1NPC1RAB9AHPGD
SCHEMBL5123829 0.87 TP53 (0.48) ROCK2NPC1RAB9AHPGDHDAC1
SCHEMBL5121951 0.85 RAB9A (0.46) NPC1RAB9AHPGDHDAC1HDAC3
SCHEMBL5130154 0.83 NPC1 (0.46) ROCK2ROCK1NPC1RAB9AHPGD
SCHEMBL5124639 0.83 PADI4 (0.51) ROCK2ROCK1NPC1RAB9AHPGD
SCHEMBL5127239 0.83 HPGD (0.42) ROCK2ROCK1NPC1RAB9AHPGD
SCHEMBL5130351 0.83 TP53 (0.48) NPC1RAB9AHPGDHDAC1HDAC3
SCHEMBL5131334 0.82 NPC1 (0.44) ROCK2ROCK1NPC1RAB9AHPGD
SCHEMBL5117437 0.82 NPC1 (0.46) NPC1RAB9AHPGDHDAC1SMN1; SMN2
SCHEMBL5124974 0.82 MMP3 (0.46) ROCK2ROCK1HDAC1HDAC3HDAC2

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
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US claimed
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 US disclosed
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US disclosed
CN-101107220-A Amide derivatives as inhibitors of histone deacetylase ANGELETTI P INST RICHERCHE BIO (IT) 2008-01-16 CN 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 ROCK2 2628/4885ROCK1 2654/4885NPC1 2251/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 ROCK2 1206/4885ROCK1 855/4885NPC1 881/4885

“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.