SCHEMBL3594499

SCHEMBL3594499

CCN1Cc2c(cccc2[N+](=O)[O-])NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.40
MMP13 P45452 1/20 0.40
POLB P06746 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 2/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 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
SCHEMBL13545419 0.81 BRD4 (0.49) POLBTDP1SMN1; SMN2MAPTALDH1A1
SCHEMBL1948769 0.77 S100A4 (0.42) POLBTDP1PKMSMN1; SMN2MAPT
SCHEMBL3605113 0.77 KMT2A (0.45) SMN1; SMN2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL13545356 0.75 ACE (0.46) ACEMMP13TDP1SMN1; SMN2MAPT
SCHEMBL16269233 0.75 ACHE (0.38) TDP1PKMSMN1; SMN2MAPTNPC1
SCHEMBL618197 0.72 TDP1 (0.43) POLBTDP1SMN1; SMN2MAPTNPC1
SCHEMBL260802 0.71 PGR (0.48) POLBTDP1MAPTALDH1A1MAPK1
SCHEMBL31108692 0.71 PGR (0.48) POLBTDP1MAPTALDH1A1MAPK1
SCHEMBL28319363 0.71 TDP1 (0.42) TDP1PKMSMN1; SMN2MAPTALDH1A1
SCHEMBL3594575 0.70 KIF11 (0.46) POLBTDP1MAPTNPC1

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 3 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
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 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 (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 1538/4885POLB 1341/4885

“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.