SCHEMBL5016734

SCHEMBL5016734

CCOc1ccc([N+](=O)[O-])cc1C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 4/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.47
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
RAB9A P51151 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL16958111 0.89 MAPT (0.52) NPSR1KDM4EMAPTKMT2AALDH1A1
SCHEMBL18113435 0.88 HTT (0.57) CYP3A4TSHRNPSR1KDM4EMAPT
SCHEMBL15486428 0.87 POLB (0.54) NPSR1KDM4EMAPTKMT2AALDH1A1
SCHEMBL6487241 0.87 NPSR1 (0.54) NPSR1KDM4EMAPTKMT2AALDH1A1
SCHEMBL4009938 0.86 KMT2A (0.49) CYP3A4NPSR1KDM4EMAPTKMT2A
SCHEMBL16952483 0.85 ALDH1A1 (0.49) NPSR1KDM4EMAPTKMT2AALDH1A1
SCHEMBL12236634 0.85 SMN1; SMN2 (0.59) NPSR1KDM4EMAPTKMT2AALDH1A1
SCHEMBL730095 0.85 ALDH1A1 (0.54) NPSR1KDM4EMAPTKMT2AALDH1A1
SCHEMBL4015348 0.85 PTGDR2 (0.61) MAPTKMT2AALDH1A1LMNAPOLB
SCHEMBL9039249 0.85 CYSLTR2 (0.56) CYP3A4NPSR1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486996-B2 Aroylfuranes and aroylthiophenes BASILEA PHARMACEUTICA AG (CH) 2013-07-16 US disclosed
US-8486996-B2 Aroylfuranes and aroylthiophenes BASILEA PHARMACEUTICA AG (CH) 2013-07-16 US disclosed
US-8486996-B2 Aroylfuranes and aroylthiophenes BASILEA PHARMACEUTICA AG (CH) 2013-07-16 US disclosed
EP-1894917-A1 Aryloxy- and arylthioxyacetophenone-type compounds for the treatment of cancer Basilea Pharmaceutica AG (CH) 2008-03-05 EP disclosed
EP-1894917-A1 Aryloxy- and arylthioxyacetophenone-type compounds for the treatment of cancer Basilea Pharmaceutica AG (CH) 2008-03-05 EP disclosed
EP-1697336-B1 AROYLFURANES AND AROYLTHIOPHENES SUITABLE FOR THE TREATMENT OF CANCER BASILEA PHARMACEUTICA AG (CH) 2007-12-19 EP disclosed
US-20060205739-A1 Aroylfuranes and aroylthiophenes BASILEA PHARMACEUTICA AG 2006-09-14 US disclosed
EP-1697336-A2 AROYLFURANES AND AROYLTHIOPHENES SUITABLE FOR THE TREATMENT OF CANCER Basilea Pharmaceutica AG (CH) 2006-09-06 EP disclosed
WO-2005061476-A2 AROYLFURANES AND AROYLTHIOPHENES BASILEA PHARMACEUTICA AG (CH) 2005-07-07 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-20060205739-A1 Aroylfuranes and aroylthiophenes TPMT, APRT, ABAT CYP3A4 89/4885TSHR 1612/4885NPSR1 4059/4885

“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.