SCHEMBL4811634

SCHEMBL4811634

O=C1CCc2c1cc(Br)cc2[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
ERN1 O75460 1/20 0.39
GPR35 Q9HC97 3/20 0.38
CYP1A2 P05177 3/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
AKR1B1 P15121 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP3A4 P08684 3/20 0.33
MAPK1 P28482 3/20 0.32

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
SCHEMBL20681044 0.76 ALDH1A1 (0.35) CYP1A2MAPTALDH1A1RECQLKMT2A
SCHEMBL21879089 0.76 ALDH1A1 (0.35) GPR35CYP1A2MAPTALDH1A1RECQL
SCHEMBL30042181 0.76 GRIA1 (0.34) CYP1A2MAPTALDH1A1RECQLKMT2A
SCHEMBL29222583 0.73 S100A4 (0.44) S100A4TRPV1ERN1GPR35CYP1A2
SCHEMBL35211484 0.73 MAPT (0.56) S100A4GPR35CYP1A2MAPTALDH1A1
SCHEMBL166701 0.73 MAPT (0.56) S100A4GPR35CYP1A2MAPTALDH1A1
SCHEMBL27295316 0.72 S100A4 (0.40) S100A4TRPV1ERN1GPR35MAPT
SCHEMBL28894123 0.71 S100A4 (0.42) S100A4TRPV1ERN1GPR35CYP1A2
SCHEMBL22547426 0.71 SIRT2 (0.35) S100A4MAPTALDH1A1KMT2AHPGD
SCHEMBL4815304 0.71 ALDH1A1 (0.33) S100A4MAPTALDH1A1TP53HSD17B10

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-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 S100A4 3418/4885TRPV1 2492/4885ERN1 793/4885

“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.