SCHEMBL114010

SCHEMBL114010

CCCCCCCCCCCCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CCCCCCCCCCCC)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 5/20 0.53
MAPT P10636 2/20 0.44
BLM P54132 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
S1PR2 O95136 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ALPG P10696 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
XBP1 P17861 1/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13660360 1.00 PRMT1 (0.53) PRMT1MAPTBLMMEN1NPC1
SCHEMBL12415018 0.99 PRMT1 (0.53) PRMT1MAPTBLMMEN1NPC1
SCHEMBL14597380 0.96 PRMT1 (0.52) PRMT1MAPTBLMMEN1NPC1
SCHEMBL13898147 0.96 PRMT1 (0.52) PRMT1MAPTBLMMEN1NPC1
SCHEMBL14597383 0.96 PRMT1 (0.52) PRMT1MAPTBLMMEN1NPC1
SCHEMBL31673509 0.96 PRMT1 (0.52) PRMT1MAPTBLMMEN1NPC1
SCHEMBL12713683 0.95 PRMT1 (0.53) PRMT1MAPTBLMMEN1NPC1
SCHEMBL16609257 0.95 PRMT1 (0.54) PRMT1MAPTBLMMEN1NPC1
SCHEMBL14666851 0.92 PTPN1 (0.51) PRMT1MAPTBLMMEN1NPC1
SCHEMBL15026323 0.92 PTPN1 (0.51) PRMT1MAPTBLMMEN1NPC1

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-8906354-B2 Loaded latex optical molecular imaging probes containing lipophilic large stokes shift dyes BRUKER BIOSPIN CORPORATION (US) 2014-12-09 US disclosed
US-8834846-B2 Fluorescent NIRF activatable probes for disease detection BRUKER BIOSPIN CORPORATION (US) 2014-09-16 US disclosed
US-20120058050-A1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CONTAINING LIPOPHILIC LARGE STOKES SHIFT DYES BRUKER BIOSPIN CORPORATION 2012-03-08 US disclosed
US-20110293529-A1 FLUORESCENT NIRF ACTIVATABLE PROBES FOR DISEASE DETECTION BRUKER BIOSPIN CORPORATION 2011-12-01 US 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 (2 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-20120058050-A1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CONTAINING LIPOPHILIC LARGE STOKES SHIFT DYES LASP1, LSS, SELL PRMT1 3441/4885MAPT 1897/4885BLM 3087/4885
US-20110293529-A1 FLUORESCENT NIRF ACTIVATABLE PROBES FOR DISEASE DETECTION CTSF, ENGASE, DNTT PRMT1 2561/4885MAPT 1543/4885BLM 3701/4885

“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.