SCHEMBL3593434

SCHEMBL3593434

Nc1cccc2c1NC(=O)N(CCO)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.47
PARP2 Q9UGN5 3/20 0.47
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
TRPV1 Q8NER1 11/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MYC P01106 1/20 0.33
ACHE P22303 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3593432 0.82 PARP1 (0.44) PARP1PARP2LMNAHTTTRPV1
SCHEMBL3596149 0.82 PARP1 (0.49) PARP1PARP2HTTKDM4EALOX15
SCHEMBL3594623 0.77 ACE (0.45) PARP1PARP2TRPV1ACHECRBN
SCHEMBL3587267 0.76 BRD4 (0.54) PARP1CRBN
SCHEMBL12714359 0.76 PARP1 (0.68) PARP1PARP2LMNAHTTCRBN
SCHEMBL3600321 0.72 CA9 (0.47) TRPV1KDM4E
SCHEMBL3588940 0.71 BRD4 (0.41) PARP1PARP2TRPV1KDM4E
SCHEMBL12714318 0.68 PARP1 (0.57) PARP1PARP2LMNAHTTHDAC3
SCHEMBL12714900 0.67 PARP1 (0.68) PARP1PARP2LMNAHTT
SCHEMBL12714366 0.67 PARP1 (0.56) PARP1PARP2LMNAHTTHDAC3

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 PARP1 1468/4885PARP2 2079/4885LMNA 251/4885

“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.