SCHEMBL5885253

SCHEMBL5885253

Cc1cc(Br)ccc1C(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
CES2 O00748 2/20 0.40
DBH P09172 1/20 0.40
RECQL P46063 1/20 0.40
CES1 P23141 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
DGAT1 O75907 1/20 0.39
GPR27 Q9NS67 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL1922661 0.87 FLT1 (0.42) FLT1FLT4KDRMAPTHTT
SCHEMBL9304914 0.81 HPGD (0.47) MAPTHTTNPC1KDM4EGAA
SCHEMBL5716706 0.80 TAS1R3 (0.46) FLT1FLT4KDRHTTNPC1
SCHEMBL5780893 0.80 POLB (0.42) FLT1FLT4KDRMAPTHTT
SCHEMBL24099745 0.79 L3MBTL1 (0.40) MAPTKDM4ECES2MAPK1RAB9A
SCHEMBL22552676 0.79 KDM4E (0.52) KDM4EMYCNR4A1
SCHEMBL29404214 0.79 KDM4E (0.52) KDM4EMYCNR4A1
SCHEMBL22552324 0.79 KDM4E (0.56) MAPTKDM4EL3MBTL1DGAT1POLB
SCHEMBL2426987 0.79 DGAT1 (0.59) FLT1FLT4KDRNPC1KDM4E
SCHEMBL30448279 0.79 DGAT1 (0.59) FLT1FLT4KDRNPC1KDM4E

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-7005437-B2 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2006-02-28 US disclosed
EP-1404648-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP disclosed
WO-2003101942-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 WO disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 US 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-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 FLT1 751/4885FLT4 1569/4885KDR 1192/4885

“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.