SCHEMBL650304

SCHEMBL650304

CC1Nc2ccc3cc(Br)ccc3c2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.39
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ERN1 O75460 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2A6 P11509 1/20 0.32
POLB P06746 2/20 0.32
PGR P06401 1/20 0.32
TP53 P04637 1/20 0.32
NCEH1 Q6PIU2 2/20 0.31
DAO P14920 1/20 0.31
NOS1 P29475 2/20 0.30
METAP2 P50579 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CSNK2A1 P68400 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL1305294 0.78 MEN1 (0.42) ALDH1A1SMN1; SMN2MAPTKDM4ECYP2A6
SCHEMBL4296863 0.76 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL4296989 0.75 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL15066792 0.74 AR (0.36) HTR2BSIGMAR1ALDH1A1MAPTKDM4E
SCHEMBL6539867 0.74 AR (0.38) HTR2BSIGMAR1MAPTPOLBPGR
SCHEMBL3433055 0.69 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB
SCHEMBL3753314 0.68 NCEH1 (0.40) SIRT2HTR2BSIGMAR1ERN1ALDH1A1
SCHEMBL56836 0.65 CYP2A6 (0.57) ERN1ALDH1A1MAPTKDM4ECYP2A6
SCHEMBL26922538 0.65 BRD4 (0.45) HTR2BMAPTPOLBPGRTP53
SCHEMBL650303 0.65 MEN1 (0.62) SIRT2HTR2BSIGMAR1ERN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119816-B2 Merocyanine dye and use thereof TAIWAN FLUORO TECHNOLOGY CO., LTD. (TW) 2012-02-21 US disclosed
US-20110165518-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2011-07-07 US disclosed
US-20110165518-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2011-07-07 US disclosed
US-20070085074-A1 Merocyanine dye and use thereof TUBE SMITH TECHNOLOGY CO.,LTD. (TW) 2007-04-19 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-20070085074-A1 Merocyanine dye and use thereof NR1I2, SLCO2B1, SLCO2A1 SIRT2 1236/4885HTR2B 608/4885SIGMAR1 72/4885

“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.