SCHEMBL7048281

SCHEMBL7048281

N#CC(C#N)=C1CC(=C(C#N)C#N)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.53
EGFR P00533 1/20 0.51
PTPRC P08575 3/20 0.46
S100A4 P26447 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 6/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
TLR9 Q9NR96 1/20 0.42
MCL1 Q07820 1/20 0.41

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
SCHEMBL7047314 0.90 EGFR (0.51) HPRT1EGFRPTPRCS100A4CA1
SCHEMBL10018096 0.81 HPRT1 (0.42) HPRT1EGFRPTPRCS100A4CA1
SCHEMBL11588993 0.79 HPRT1 (0.69) HPRT1EGFRPTPRCS100A4CA1
SCHEMBL10943739 0.79 HPRT1 (0.74) HPRT1EGFRPTPRCS100A4CA1
SCHEMBL11586212 0.76 HPRT1 (0.70) HPRT1EGFRPTPRCS100A4CA1
SCHEMBL11695991 0.74 HPRT1 (0.67) HPRT1EGFRPTPRCS100A4CA1
SCHEMBL11589459 0.74 HPRT1 (0.63) HPRT1EGFRPTPRCS100A4CA1
SCHEMBL7047553 0.73 EGFR (0.44) EGFRCA1CA2CA7CA9
SCHEMBL8525627 0.72 TDP1 (0.62) HPRT1EGFRPTPRCS100A4CA1
SCHEMBL7049233 0.71 EGFR (0.38) EGFRS100A4KDM4EMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
US-20170192352-A1 PHOTOACID GENERATOR U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2017-07-06 US disclosed
US-20170192353-A1 PHOTORESIST COMPOSITION, COATED SUBSTRATE INCLUDING THE PHOTORESIST COMPOSITION, AND METHOD OF FORMING ELECTRONIC DEVICE U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2017-07-06 US disclosed
US-8120019-B2 Organic light-emitting element having tetracyano compound and display device CANON KABUSHIKI KAISHA (JP) 2012-02-21 US disclosed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 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 (2 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-20170192353-A1 PHOTORESIST COMPOSITION, COATED SUBSTRATE INCLUDING THE PHOTORESIST COMPOSITION, AND METHOD OF FORMING ELECTRONIC DEVICE PPIG, PARG, EEF1G HPRT1 298/4885EGFR 533/4885PTPRC 1344/4885
US-20170192352-A1 PHOTOACID GENERATOR RARG, PPIG, ATP6V1G1 HPRT1 55/4885EGFR 1733/4885PTPRC 3156/4885

“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.