SCHEMBL3173571

SCHEMBL3173571

Cc1cc(Br)ccc1C(=O)Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
MAPT P10636 4/20 0.43
DGAT1 O75907 1/20 0.42
CES2 O00748 2/20 0.42
GALR3 O60755 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR27 Q9NS67 1/20 0.41
MYC P01106 1/20 0.41
NR4A1 P22736 1/20 0.41
DHODH Q02127 1/20 0.41
NPC1 O15118 3/20 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
SCHEMBL30753064 0.83 KDM4E (0.53) FLT1FLT4KDRMYCNR4A1
SCHEMBL29420640 0.83 MAPT (0.49) FLT1FLT4KDRMAPTDGAT1
SCHEMBL6360 0.83 KDM4E (0.53) FLT1FLT4KDRMYCNR4A1
SCHEMBL117133 0.83 MAPT (0.49) FLT1FLT4KDRMAPTDGAT1
Hydrochloric Acid SCHEMBL7676438 0.81 KDM4E (0.52) FLT1FLT4KDRMEN1KMT2A
SCHEMBL428805 0.81 DGAT1 (0.60) FLT1FLT4KDRMAPTDGAT1
SCHEMBL321933 0.81 FLT1 (0.49) FLT1FLT4KDRMAPTDGAT1
SCHEMBL6113399 0.80 NFE2L2 (0.47) FLT1FLT4KDRCES2MEN1
SCHEMBL5761315 0.79 ALDH1A1 (0.53) FLT1FLT4KDRMAPTDGAT1
SCHEMBL27007635 0.79 NPC1 (0.62) FLT1FLT4KDRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
CN-101675050-A Purines as cysteine protease inhibitors GLAXO GROUP LTD 2010-03-17 CN disclosed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
EP-2077841-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-07-15 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO disclosed
WO-2008052934-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-08 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 (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-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS SERPINB1, CTRL, PRSS1 FLT1 4024/4885FLT4 4486/4885KDR 4778/4885
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS CPN1, SERPINB1, PNP FLT1 4056/4885FLT4 4669/4885KDR 4869/4885

“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.