SCHEMBL21234770

SCHEMBL21234770

CN(CCC#N)c1cc2cc3cc(/C=C(\C#N)c4nc5ccccc5o4)sc3cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.43
▸ KMT2A Q03164 9/20 0.43
▸ MEN1 O00255 7/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ HTT P42858 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 6/20 0.38
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ FAAH O00519 2/20 0.31
▸ CES1 P23141 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31

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
SCHEMBL21234751 0.90 MAPT (0.45) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL21234862 0.87 MAPT (0.41) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL21234702 0.87 MAPT (0.42) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL24519210 0.84 MAPT (0.40) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL21234688 0.84 MEN1 (0.46) MAPTKDM4EKMT2AMEN1RAB9A
SCHEMBL21037405 0.84 MAPT (0.46) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL21234735 0.81 MAPT (0.39) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL21234711 0.80 MAPT (0.41) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL21234692 0.79 MAPT (0.45) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL21036844 0.78 MAPT (0.44) MAPTKDM4ENPSR1KMT2AMEN1

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-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-08-08 — — 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-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B MAPT 2048/4885KDM4E 3930/4885NPSR1 4648/4885

“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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