SCHEMBL2400845

SCHEMBL2400845

COc1ccc([S+](c2ccc(Br)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
MAPT P10636 5/20 0.53
MAPK1 P28482 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
NPC1 O15118 4/20 0.47
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ACHE P22303 1/20 0.42

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
SCHEMBL372869 0.88 CA1 (0.65) RAB9AMAPTMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL11132722 0.85 CA1 (0.61) RAB9AMAPTMAPK1MEN1KMT2A
Iodide SCHEMBL10951556 0.85 CA1 (0.61) RAB9AMAPTMAPK1MEN1KMT2A
SCHEMBL9301 0.85
Fluoride SCHEMBL122408 0.83 CA1 (0.58) RAB9AMAPTMAPK1MEN1KMT2A
Phosphine SCHEMBL9754815 0.83 CA1 (0.65) RAB9AMAPTMAPK1MEN1KMT2A
SCHEMBL5466009 0.83 CA1 (0.65) RAB9AMAPTMAPK1MEN1KMT2A
Magnesium SCHEMBL31191739 0.83 CA1 (0.65) RAB9AMAPTMAPK1MEN1KMT2A
SCHEMBL10605468 0.83 CA1 (0.65) RAB9AMAPTMAPK1MEN1KMT2A
Bromomethane SCHEMBL9702151 0.83 CA1 (0.65) RAB9AMAPTMAPK1MEN1KMT2A

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-20130299736-A1 RADIATION-CURABLE COATING MATERIALS BASE SE (DE) 2013-11-14 US disclosed
US-20110230617-A1 RADIATION-CURABLE COATING MATERIALS BASF SE (DE) 2011-09-22 US disclosed
US-20100126386-A1 RADIATION-CURABLE COATING SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2010-05-27 US disclosed
WO-2007138095-A1 USE OF STABILIZING COMPOSITIONS CONTAINING CYANINE CATIONS IN PACKAGING MATERIALS BASF SE (DE) 2007-12-06 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-20110230617-A1 RADIATION-CURABLE COATING MATERIALS RAD51, MGMT, RAD54L RAB9A 1455/4885MAPT 34/4885MAPK1 4399/4885

“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.