SCHEMBL26220117

SCHEMBL26220117

CCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 2/20 0.56
THRB P10828 2/20 0.56
PKM P14618 2/20 0.56
XBP1 P17861 2/20 0.56
HTT P42858 2/20 0.56
RECQL P46063 2/20 0.56
BLM P54132 2/20 0.56
USP2 O75604 2/20 0.56
S1PR2 O95136 1/20 0.56
ALPG P10696 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56

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
SCHEMBL12334548 0.96 MAPT (0.60) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12334547 0.94 PRMT1 (0.57) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12334555 0.93 PRMT1 (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL21524965 0.91 PRMT1 (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL18070299 0.89 PRMT1 (0.61) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL19105036 0.89 NPC1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL24767157 0.89 PRMT1 (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12334550 0.88 PRMT1 (0.60) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL18685192 0.88 PRMT1 (0.60) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13773317 0.88 MAPT (0.54) MAPTMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 US disclosed
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-09-05 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-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP MAPT 4576/4885MEN1 3127/4885KMT2A 4355/4885
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates PFAS, PHOSPHO1, PNKP MAPT 4576/4885MEN1 3127/4885KMT2A 4355/4885

“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.