SCHEMBL3594623

SCHEMBL3594623

Nc1cccc2c1CN(CCO)C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.45
MMP13 P45452 1/20 0.45
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 1/20 0.38
TRPV1 Q8NER1 13/20 0.36
BRD4 O60885 2/20 0.34
CREBBP Q92793 1/20 0.34
ACHE P22303 1/20 0.33
TNF P01375 1/20 0.33
IL1B P01584 1/20 0.33
IKZF1 Q13422 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
IKZF3 Q9UKT9 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
SCHEMBL3594621 0.84 ACE (0.46) ACEMMP13PARP1PARP2TRPV1
SCHEMBL3604262 0.82 ACE (0.44) ACEMMP13PARP1BRD4CREBBP
SCHEMBL3600610 0.82 PARP1 (0.41) ACEMMP13PARP1PARP2BRD4
SCHEMBL13383410 0.81 ACE (0.47) ACEMMP13PARP1PARP2TRPV1
SCHEMBL3593434 0.77 PARP1 (0.47) PARP1PARP2TRPV1ACHECRBN
SCHEMBL3598102 0.76 BRD4 (0.54) ACEMMP13PARP1BRD4CREBBP
SCHEMBL3600321 0.72 CA9 (0.47) TRPV1
SCHEMBL3588940 0.71 BRD4 (0.41) PARP1PARP2TRPV1BRD4
SCHEMBL12714359 0.67 PARP1 (0.68) PARP1PARP2CRBN
SCHEMBL2194813 0.66 CRBN (0.44) PARP1PARP2TRPV1DDB1CRBN

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 ACE 2551/4885MMP13 1538/4885PARP1 1468/4885

“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.