SCHEMBL17905913

SCHEMBL17905913

C[n+]1ccc(/C=C/c2ccc3c(c2)c2cc(/C=C/c4cc[n+](C)cc4)ccc2n3-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 7/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ RAB9A P51151 8/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ USP2 O75604 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ POLB P06746 3/20 0.45
▸ GPR55 Q9Y2T6 2/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ ATM Q13315 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 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
SCHEMBL15624213 0.92 CHAT (0.49) CHATALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL15624214 0.92 CHAT (0.46) CHATALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL8692442 0.86 KDM4E (0.50) MEN1KMT2APOLBKDM4EATM
SCHEMBL15624230 0.85 CHAT (0.46) CHATALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL680529 0.83 KDM4E (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
Iodide SCHEMBL28417346 0.82 CHAT (0.56) CHATALDH1A1GLAMAPTSMN1; SMN2
Iodide SCHEMBL28417347 0.82 CHAT (0.56) CHATALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL10708645 0.81 KDM4E (0.60) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL13157274 0.81 KDM4E (0.60) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL10708650 0.81 KDM4E (0.60) MAPTMEN1KMT2APOLBKDM4E

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-20160195519-A1 FLUORESCENT MOLECULAR ROTORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-07 — — 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-20160195519-A1 FLUORESCENT MOLECULAR ROTORS DYNC1LI2, DNAH12, DYNLL2 CHAT 4418/4885ALDH1A1 3536/4885GLA 3434/4885

“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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