SCHEMBL15624213

SCHEMBL15624213

C[n+]1ccc(/C=C/c2ccc(-n3c4ccc(/C=C/c5cc[n+](C)cc5)cc4c4cc(/C=C/c5cc[n+](C)cc5)ccc43)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 7/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ RAB9A P51151 9/20 0.48
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ USP2 O75604 5/20 0.48
▸ POLB P06746 4/20 0.48
▸ GPR55 Q9Y2T6 2/20 0.48
▸ NOD2 Q9HC29 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ THRB P10828 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
SCHEMBL17905913 0.92 CHAT (0.54) CHATALDH1A1MAPTSMN1; SMN2GLA
SCHEMBL15624230 0.92 CHAT (0.46) CHATALDH1A1MAPTSMN1; SMN2GLA
SCHEMBL15624214 0.85 CHAT (0.46) CHATALDH1A1MAPTSMN1; SMN2GLA
Iodide SCHEMBL28417347 0.83 CHAT (0.56) CHATALDH1A1MAPTSMN1; SMN2GLA
Iodide SCHEMBL28417346 0.83 CHAT (0.56) CHATALDH1A1MAPTSMN1; SMN2GLA
SCHEMBL17890333 0.77 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL17890335 0.77 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL8692442 0.76 KDM4E (0.50) MEN1KMT2APOLBKDM4EATM
SCHEMBL10702323 0.75 RELA (0.53) KDM4ELMNA
SCHEMBL10702318 0.75 RELA (0.53) KDM4ELMNA

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-20160195519-A1 FLUORESCENT MOLECULAR ROTORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-07 — — US disclosed
EP-2711366-A1 Cationic triphenylamine derivatives activable by visible and Infra Red light for inducing and imaging apoptosis in cancer cells Institut Curie (FR) 2014-03-26 — — EP 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-20160195519-A1 FLUORESCENT MOLECULAR ROTORS DYNC1LI2, DNAH12, DYNLL2 CHAT 4418/4885ALDH1A1 3536/4885MAPT 2260/4885

“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.

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