SCHEMBL5096830

SCHEMBL5096830

Cc1ccccc1C(=O)C(C)(C)Br

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
KMT2A Q03164 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.43
ABCB1 P08183 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MYC P01106 1/20 0.41
PLAU P00749 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL7949878 0.84 HPGD (0.47) HPGDKMT2AERCC5FEN1HTT
SCHEMBL10455866 0.83 HPGD (0.46) HPGDKMT2AERCC5FEN1NPC1
SCHEMBL19278858 0.83 HPGD (0.46) HPGDKMT2AERCC5FEN1HTT
SCHEMBL3869539 0.81 HPGD (0.44) HPGDERCC5FEN1HTTSMN1; SMN2
SCHEMBL29137330 0.81 HPGD (0.44) HPGDKMT2AERCC5FEN1NPC1
SCHEMBL1199962 0.78 CES1 (0.50) HPGDERCC5FEN1HTTMAPK1
SCHEMBL8914360 0.78 HPGD (0.46) HPGDERCC5FEN1HTTSMN1; SMN2
SCHEMBL29645048 0.78 CES1 (0.50) HPGDERCC5FEN1HTTMAPK1
SCHEMBL6833654 0.78 ALDH1A1 (0.61) HPGDKMT2ASMN1; SMN2MYC
SCHEMBL11259732 0.78 ADRB2 (0.43) HPGDKMT2AERCC5FEN1NPC1

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-7323577-B2 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-29 US disclosed
US-20060142598-A1 Process for producing benzofuran derivative TAWADA HIROYUKI 2006-06-29 US disclosed
US-20040210066-A1 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-10-21 US disclosed
EP-1408036-A1 PROCESS FOR PRODUCING BENZOFURAN DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-04-14 EP 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 (2 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-20040210066-A1 Process for producing benzofuran derivative IWS1, HAT1, BRD1 HPGD 416/4885KMT2A 554/4885ERCC5 3948/4885
US-20060142598-A1 Process for producing benzofuran derivative AHR, CBR3, HAT1 HPGD 311/4885KMT2A 417/4885ERCC5 3944/4885

“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.