SCHEMBL6717436

SCHEMBL6717436

COc1ccccc1COCCCOc1ccc(I)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
L3MBTL1 Q9Y468 9/20 0.52
HPGD P15428 8/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
CYP1A2 P05177 4/20 0.52
CYP2C9 P11712 4/20 0.52
CYP2C19 P33261 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.47
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
IDO1 P14902 2/20 0.40
APP P05067 1/20 0.40
REN P00797 2/20 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
SCHEMBL6719674 0.88 L3MBTL1 (0.46) MAPTL3MBTL1HPGDRAB9ANPC1
SCHEMBL6720004 0.86 L3MBTL1 (0.42) MAPTL3MBTL1HPGDRAB9ANPC1
SCHEMBL6717134 0.85 L3MBTL1 (0.47) MAPTL3MBTL1HPGDRAB9ANPC1
SCHEMBL6728447 0.81 NPSR1 (0.50) MAPTL3MBTL1HPGDRAB9ANPC1
SCHEMBL6721777 0.80 MAPT (0.51) MAPTL3MBTL1HPGDATMIDO1
SCHEMBL6721581 0.80 MAPT (0.54) MAPTL3MBTL1HPGDRAB9ANPC1
SCHEMBL1941923 0.76 IDO1 (0.53) L3MBTL1SMN1; SMN2IDO1RENHTR1A
SCHEMBL6717628 0.76 SMN1; SMN2 (0.43) MAPTL3MBTL1HPGDSMN1; SMN2MAPK1
SCHEMBL6728676 0.75 MAPT (0.52) MAPTL3MBTL1HPGDRAB9ANPC1
Hydrochloric Acid SCHEMBL2473227 0.75 IDO1 (0.54) MAPTSMN1; SMN2ALDH1A1TDP1IDO1

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 MAPT 3937/4885L3MBTL1 4859/4885HPGD 256/4885

“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.