SCHEMBL1804757

SCHEMBL1804757

O=C1c2ccccc2CCc2cc(Br)sc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.60
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
NOTUM Q6P988 3/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
MIF P14174 4/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 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
SCHEMBL1805334 0.79 L3MBTL1 (0.57) CES1L3MBTL1TDP1KDM4EALDH1A1
SCHEMBL13712393 0.78 CES1 (1.00) CES1L3MBTL1TDP1KDM4EALDH1A1
SCHEMBL15763745 0.73 PNMT (0.35)
SCHEMBL29408351 0.73 CES1 (0.90) CES1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL44496 0.73 CES1 (0.90) CES1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL29437756 0.73 CES1 (0.90) CES1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL18045592 0.73 PTPRC (0.47) CES1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL8254678 0.72 PKM (0.30) PKM
SCHEMBL17865606 0.72 PBRM1 (0.31)
SCHEMBL4165344 0.70 CES1 (0.61) CES1L3MBTL1TDP1ALDH1A1MAPT

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
EP-2319840-B1 AMINOPROPYLIDENE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2015-12-16 EP disclosed
US-8653285-B2 Aminopropylidene derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20110124856-A1 AMINOPROPYLIDENE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
EP-2319840-A1 AMINOPROPYLIDENE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2011-05-11 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 (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-20110124856-A1 AMINOPROPYLIDENE DERIVATIVE HRH2, HRH3, HRH4 CES1 2989/4885L3MBTL1 564/4885TDP1 3965/4885

“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.