SCHEMBL13100804

SCHEMBL13100804

CCCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CCSOOO)c4ccccc4C3(C)C)=C2N(C)C(=O)OC(C)(C)C)C(C)(C)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.38
HTR1A P08908 1/20 0.38
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
S1PR2 O95136 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ALPG P10696 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
XBP1 P17861 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4753486 0.92 HTR1A (0.41) PRMT1HTR1AMEN1MAPTKMT2A
SCHEMBL276744 0.88 HTR1A (0.46) PRMT1HTR1AFOLR1
SCHEMBL13100802 0.86 HTR1A (0.41) PRMT1HTR1AMEN1MAPTKMT2A
SCHEMBL12056744 0.86 PRMT1 (0.42) PRMT1HTR1AMEN1MAPTKMT2A
SCHEMBL13100805 0.85 PRMT1 (0.45) PRMT1BLMPRMT5PRMT8
SCHEMBL4753255 0.85 HTR1A (0.48) PRMT1HTR1AAPPFOLR1
SCHEMBL13100843 0.85 MEN1 (0.52) PRMT1HTR1AMEN1MAPTKMT2A
SCHEMBL13100806 0.85 HTR1A (0.41) PRMT1HTR1AMEN1MAPTKMT2A
SCHEMBL4753490 0.84 HTR1A (0.40) PRMT1HTR1AMEN1MAPTKMT2A
SCHEMBL13100803 0.84 PRMT1 (0.42) PRMT1HTR1AMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100274023-A1 NOVEL INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MESO-SUBSTITUTED CYANINE, MEROCYANINE AND OXONOLE DYES AGFA GRAPHICS NV (BE) 2010-10-28 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 (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-20100274023-A1 NOVEL INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MESO-SUBSTITUTED CYANINE, MEROCYANINE AND OXONOLE DYES MB, MYADM, PYCR1 PRMT1 418/4885HTR1A 3200/4885MEN1 55/4885

“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.