SCHEMBL4485801

SCHEMBL4485801

N#CC(=CC=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.77
MITF O75030 1/20 0.70
MAOB P27338 3/20 0.67
LMNA P02545 7/20 0.62
GAA P10253 1/20 0.62
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 4/20 0.58
PKM P14618 3/20 0.57
GPR55 Q9Y2T6 1/20 0.57
PLIN1 O60240 1/20 0.55
PLIN5 Q00G26 1/20 0.55
ABHD5 Q8WTS1 1/20 0.55
HPGD P15428 3/20 0.53
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HSP90AA1 P07900 1/20 0.52
CCR6 P51684 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL4485799 1.00 MCL1 (0.77) MCL1MITFMAOBLMNAGAA
SCHEMBL13678096 0.89 MCL1 (0.60) MCL1MITFMAOBLMNAGAA
SCHEMBL20397566 0.87 MCL1 (1.00) MCL1MITFMAOBLMNAGAA
SCHEMBL4485275 0.87 MCL1 (1.00) MCL1MITFMAOBLMNAGAA
SCHEMBL4485269 0.87 MCL1 (1.00) MCL1MITFMAOBLMNAGAA
SCHEMBL1317168 0.86 LMNA (0.74) LMNAMEN1KMT2AMAPTPKM
SCHEMBL1317172 0.86 LMNA (0.74) LMNAMEN1KMT2AMAPTPKM
SCHEMBL4490392 0.85 MAOB (0.65) MCL1MITFMAOBLMNAGAA
SCHEMBL4490386 0.85 MAOB (0.65) MCL1MITFMAOBLMNAGAA
SCHEMBL13678157 0.85 MCL1 (0.86) MCL1MITFMAOBLMNAGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272457-B9 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-12-20 EP claimed
EP-1272457-B1 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-08-23 EP claimed
US-7012095-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2006-03-14 US claimed
US-7598419-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2009-10-06 US disclosed
US-20070243612-A1 Novel Compounds for Modulating Cell Proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2007-10-18 US disclosed
EP-1272457-B9 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-12-20 EP disclosed
EP-1272457-B1 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-08-23 EP disclosed
US-6800659-B2 NOVEL STYRYLACRYLONITRILE COMPOUNDS WHICH ARE USEFUL IN TREATING A VARIETY OF CELL PROLIFERATIVE DISORDERS SUCH AS CANCER ARE DISCLOSED. A METHOD OF MODULATING CELL PROLIFERATION COMPRISING ADMINISTERING AN EFFECTIVE AMOUNT OF HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2004-10-05 US 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-20070243612-A1 Novel Compounds for Modulating Cell Proliferation MKI67, CCNA1, PCNA MCL1 7/4885MITF 1983/4885MAOB 3511/4885

“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.