SCHEMBL5124277

SCHEMBL5124277

CN1C(=O)C2=C(c3ccc([N+](=O)[O-])cc3)NC(=O)C2=C1c1cccc(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.41
PGR P06401 6/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP2 O95551 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PSD A5PKW4 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37

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
SCHEMBL13883926 0.82 PTGS2 (0.44) GSK3BNR1H2NR1H3
SCHEMBL6693898 0.80 PTGS2 (0.45) GSK3BNR1H2NR1H3
SCHEMBL8759244 0.74 GSK3B (0.43) GSK3BLMNACYP1A2MAPTNR1H2
SCHEMBL25027833 0.73 GSK3B (0.47) GSK3BPOLBLMNACYP3A4MAPT
SCHEMBL14620062 0.71 COMT (0.40) MEN1LMNAMAPTHTTRAB9A
SCHEMBL14033976 0.71 SCN2A (0.49) POLBMAPK1MEN1LMNACYP1A2
SCHEMBL5114809 0.69 KMT2A (0.42) POLBMAPK1MEN1LMNAMAPT
SCHEMBL22591695 0.69 PTGS2 (0.33) GSK3BNR1H2NR1H3
SCHEMBL18138113 0.69 APP (0.35) TDP2MEN1MAPTKMT2A
SCHEMBL6859504 0.69 PTGS2 (0.41) GSK3BTDP2MEN1LMNAMAPT

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-7442804-B2 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-10-28 US disclosed
US-20070100135-A1 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION 2007-05-03 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-20070100135-A1 Process for the preparation of furopyrroles CCND3, C1S, CCNL2 GSK3B 3093/4885PGR 3268/4885HTR1A 886/4885

“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.