SCHEMBL1355360

SCHEMBL1355360

COc1ccc(COCCCCCBr)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.65
TDP1 Q9NUW8 1/20 0.65
IDO1 P14902 3/20 0.47
AGXT P21549 2/20 0.47
GBA1 P04062 1/20 0.45
UGCG Q16739 1/20 0.45
GBA2 Q9HCG7 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
APP P05067 7/20 0.44
CALM1 P0DP23 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL27089918 1.00 L3MBTL1 (0.65) L3MBTL1TDP1IDO1AGXTGBA1
SCHEMBL16727734 1.00 L3MBTL1 (0.65) L3MBTL1TDP1IDO1AGXTGBA1
SCHEMBL4728877 0.98 L3MBTL1 (0.62) L3MBTL1TDP1IDO1AGXTGBA1
SCHEMBL6512199 0.93 L3MBTL1 (0.59) L3MBTL1TDP1IDO1AGXTGBA1
SCHEMBL1427941 0.85 TDP1 (0.54) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL9764497 0.85 TDP1 (0.55) L3MBTL1TDP1IDO1CALM1NPC1
SCHEMBL9574168 0.85 TDP1 (0.59) L3MBTL1TDP1IDO1CALM1CHRM2
SCHEMBL9574271 0.85 TDP1 (0.55) L3MBTL1TDP1IDO1CALM1NPC1
SCHEMBL9574323 0.85 TDP1 (0.63) L3MBTL1TDP1CALM1MEN1KMT2A
SCHEMBL1354242 0.85 L3MBTL1 (0.56) L3MBTL1TDP1IDO1AGXTGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110287036-A1 NOVEL CANCER TARGETING THERAPY USING COMPLEX OF SUBTANCE CAPABLE OF BINDING SPECIFICALLY TO CONSTITUENT FACTOR OF CANCER STROMA AND ANTI-TUMOR COMPOUND RIKEN (JP) 2011-11-24 US disclosed
EP-2359852-A1 NOVEL CANCER TARGETING THERAPY USING COMPLEX OF SUBSTANCE CAPABLE OF BINDING SPECIFICALLY TO CONSTITUENT FACTOR OF CANCER STROMA AND ANTI-TUMOR COMPOUND Japan Health Sciences Foundation (JP) 2011-08-24 EP disclosed
US-6531469-B1 Treatment of myocardial ischemia, chronic stable angina, unstable angina and prinzmetal's angina attacks, silent cardiac ischemia, reinfarction, reocclusion and restenosis PIERRE FABRE MEDICAMENT (FR) 2003-03-11 US disclosed
EP-1144408-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PIERRE FABRE MEDICAMENT (FR) 2001-10-17 EP disclosed
WO-2000043391-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PIERRE FABRE MEDICAMENT (FR) 2000-07-27 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-20110287036-A1 NOVEL CANCER TARGETING THERAPY USING COMPLEX OF SUBTANCE CAPABLE OF BINDING SPECIFICALLY TO CONSTITUENT FACTOR OF CANCER STROMA AND ANTI-TUMOR COMPOUND PLAUR, BST2, SDCBP L3MBTL1 3725/4885TDP1 3902/4885IDO1 1327/4885

“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.