SCHEMBL3584554

SCHEMBL3584554

[NH]c1cccc2c1NCC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 15/20 0.41
BRD4 O60885 12/20 0.40
AHR P35869 1/20 0.37
PDK2 Q15119 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
EP300 Q09472 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 1/20 0.34

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
SCHEMBL3606127 0.85 CYP11B1 (0.36) CREBBPBRD4AHRPDK2NPC1
SCHEMBL30592227 0.78 CDK5 (0.41) CREBBPBRD4AHRPDK2NPC1
SCHEMBL26111984 0.78 CDK5 (0.41) CREBBPBRD4AHRPDK2NPC1
SCHEMBL3584556 0.78 CREBBP (0.38) CREBBPBRD4AHRPDK2NPC1
SCHEMBL31170762 0.78 CREBBP (0.57) CREBBPBRD4AHRPDK2NPC1
SCHEMBL1346633 0.78 CREBBP (0.39) CREBBPBRD4AHRPDK2NPC1
SCHEMBL6593528 0.78 CREBBP (0.43) CREBBPBRD4AHRPDK2NPC1
SCHEMBL1346523 0.78 AHR (0.49) CREBBPBRD4AHRPDK2MAPT
SCHEMBL22339993 0.74 CREBBP (0.40) CREBBPBRD4AHRPDK2NPC1
SCHEMBL13545274 0.74 PDK2 (0.45) CREBBPBRD4AHRPDK2MAPT

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 CREBBP 2015/4885BRD4 706/4885AHR 61/4885

“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.