SCHEMBL4229386

SCHEMBL4229386

CCOCc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
GPR35 Q9HC97 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
APP P05067 1/20 0.48
CTSB P07858 1/20 0.48
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
ERN1 O75460 1/20 0.45
MAPT P10636 1/20 0.45
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.44
NOX4 Q9NPH5 1/20 0.44
MEN1 O00255 1/20 0.43
CRHBP P24387 1/20 0.43

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
SCHEMBL9524366 0.90 GPR35 (0.55) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL863466 0.84 GPR35 (0.51) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL4231830 0.83 ALDH1A1 (0.58) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL9445071 0.83 TSHR (0.47) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL792454 0.83 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL26343371 0.82 ITGA4 (0.48) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL3647032 0.81 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2GAATHRB
SCHEMBL19605560 0.81 APP (0.48) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL9445058 0.81 APP (0.45) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL4232672 0.80 ITGA4 (0.49) ALDH1A1GPR35TP53HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R ALDH1A1 4542/4885GPR35 94/4885TP53 4698/4885

“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.