SCHEMBL5023065

SCHEMBL5023065

CCOc1ccc(F)cc1C(=O)CBr

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 7/20 0.47
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN1 P18031 1/20 0.43
TSPO P30536 1/20 0.43
HCRTR1 O43613 2/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LCLAT1 Q6UWP7 1/20 0.41
HPGDS O60760 1/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5051495 0.88 KDM4E (0.49) MRGPRX1SMN1; SMN2L3MBTL1PTPN1PKM
SCHEMBL1188345 0.85 TSHR (0.56) MRGPRX1L3MBTL1TSPOHCRTR1PKM
SCHEMBL31078354 0.85 TSHR (0.56) MRGPRX1L3MBTL1TSPOHCRTR1PKM
SCHEMBL2097494 0.84 HPGDS (0.54) SMN1; SMN2PTPN1PKMKDM4EHPGDS
SCHEMBL29586157 0.84 HPGDS (0.54) SMN1; SMN2PTPN1PKMKDM4EHPGDS
SCHEMBL11755786 0.83 KDM4E (0.58) ALDH1A1L3MBTL1HCRTR1KDM4EHPGDS
SCHEMBL3165420 0.82 CYP3A4 (0.61) MRGPRX1ALDH1A1SMN1; SMN2L3MBTL1TSPO
SCHEMBL30628345 0.82 CYP3A4 (0.61) MRGPRX1ALDH1A1SMN1; SMN2L3MBTL1TSPO
SCHEMBL14364673 0.82 MRGPRX1 (0.45) MRGPRX1ALDH1A1SMN1; SMN2L3MBTL1TSPO
SCHEMBL11287767 0.81 MRGPRX1 (0.49) MRGPRX1ALDH1A1SMN1; SMN2L3MBTL1TSPO

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 MRGPRX1 1925/4885ALDH1A1 308/4885SMN1; SMN2 3852/4885

“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.