SCHEMBL5481613

SCHEMBL5481613

N#Cc1nccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LRRK2 Q5S007 3/20 0.46
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
ERBB2 P04626 1/20 0.41
CHEK1 O14757 3/20 0.39
GSK3B P49841 3/20 0.39
ALOX15 P16050 1/20 0.39
FLT1 P17948 3/20 0.39

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
SCHEMBL27544440 0.81 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL24322462 0.81 CNR2 (0.46) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL24322644 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1940527 0.78 LRRK2 (0.56) ALDH1A1L3MBTL1LRRK2KDM4ELMNA
SCHEMBL1008743 0.77 ALOX15 (0.44) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL996432 0.72 CCNA2 (0.45) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL2489243 0.72 LRRK2 (0.43) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL30143359 0.72 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
Phosphine SCHEMBL8460251 0.72 CHEK1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL10427642 0.71 ERBB2 (0.53) ALDH1A1CYP1A2LRRK2MAPTKDM4E

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-20070128658-A1 FLUORESCENT DYES, METHODS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-06-07 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-20070128658-A1 FLUORESCENT DYES, METHODS AND USES THEREOF DHX15, DHX35, DUT ALDH1A1 2503/4885MEN1 3602/4885KMT2A 2812/4885

“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.