SCHEMBL3598100

SCHEMBL3598100

CN1Cc2c([NH])cccc2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.56
CREBBP Q92793 3/20 0.56
CRBN Q96SW2 1/20 0.41
KMT2A Q03164 1/20 0.38
ACE P12821 1/20 0.35
MMP13 P45452 1/20 0.35
CDK5 Q00535 4/20 0.35
CDK5R1 Q15078 4/20 0.35
BRD2 P25440 1/20 0.33
ENPP1 P22413 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
SCHEMBL4613887 0.82 BRD4 (0.56) BRD4CREBBPCRBNKMT2AACE
SCHEMBL29704455 0.82 BRD4 (0.56) BRD4CREBBPCRBNKMT2AACE
SCHEMBL19657830 0.82 BRD4 (0.56) BRD4CREBBPCRBNKMT2AACE
SCHEMBL20612876 0.81 BRD4 (0.54) BRD4CREBBPCRBNKMT2AACE
SCHEMBL3598102 0.81 BRD4 (0.54) BRD4CREBBPCRBNKMT2AACE
SCHEMBL13383385 0.79 BRD4 (0.53) BRD4CREBBPCRBNKMT2AACE
SCHEMBL20597216 0.78 CDK5 (0.52) BRD4CREBBPKMT2ACDK5CDK5R1
SCHEMBL30116170 0.78 CDK5 (0.52) BRD4CREBBPKMT2ACDK5CDK5R1
SCHEMBL3594621 0.76 ACE (0.46) BRD4CREBBPACEMMP13
SCHEMBL3600609 0.76 ACE (0.40) BRD4CREBBPACEMMP13CDK5

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 BRD4 706/4885CREBBP 2015/4885CRBN 762/4885

“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.