SCHEMBL6719951

SCHEMBL6719951

COc1ccccc1COCCCOc1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 7/20 0.44
HPGD P15428 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 2/20 0.42
REN P00797 2/20 0.41
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
IDO1 P14902 2/20 0.40
PTGER1 P34995 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
SCHEMBL6728676 0.88 MAPT (0.52) L3MBTL1TDP1MAPTHPGDNPC1
SCHEMBL6721507 0.86 SMN1; SMN2 (0.43) L3MBTL1TDP1MAPTHPGDNPC1
SCHEMBL6717134 0.85 L3MBTL1 (0.47) L3MBTL1TDP1MAPTHPGDNPC1
SCHEMBL5710347 0.80 MAPT (0.51) L3MBTL1MAPTHPGDRENIDO1
SCHEMBL2497096 0.79 ATM (0.51) L3MBTL1TDP1MAPTHPGDNPC1
SCHEMBL6717628 0.76 SMN1; SMN2 (0.43) L3MBTL1TDP1MAPTHPGDSMN1; SMN2
SCHEMBL6719674 0.75 L3MBTL1 (0.46) L3MBTL1TDP1MAPTHPGDNPC1
SCHEMBL6721503 0.74 ALDH1A1 (0.51) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6720004 0.73 L3MBTL1 (0.42) L3MBTL1TDP1MAPTHPGDNPC1
SCHEMBL1941923 0.73 IDO1 (0.53) L3MBTL1SMN1; SMN2RENIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 L3MBTL1 4859/4885TDP1 4579/4885MAPT 3937/4885

“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.