SCHEMBL3501736

SCHEMBL3501736

CN(C)c1cc2c(c3ccccc13)C(=O)OC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NSD2 O96028 1/20 0.39
EGFR P00533 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 1/20 0.38
PTK2B Q14289 1/20 0.38
CHEK1 O14757 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
EP300 Q09472 1/20 0.37

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
SCHEMBL31634605 0.77 CYP1A2 (0.44) TDP1ALOX15ALDH1A1MAPTKMT2A
SCHEMBL15059660 0.75 PARP1 (0.44) TDP1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL12447848 0.74 ALOX15 (0.40) TDP1ALOX15L3MBTL1ALDH1A1LMNA
SCHEMBL7541755 0.74 TDP1 (0.40) TDP1ALOX15ALDH1A1LMNAKMT2A
SCHEMBL29501815 0.73 ALOX15 (0.43) TDP1ALOX15ALDH1A1MAPTKMT2A
SCHEMBL1518035 0.73 ALOX15 (0.43) TDP1ALOX15ALDH1A1MAPTKMT2A
SCHEMBL4960375 0.73 ALOX15 (0.43) TDP1ALOX15ALDH1A1MAPK1CHEK1
SCHEMBL4959186 0.73 ALOX15 (0.43) TDP1ALOX15ALDH1A1LMNANPSR1
SCHEMBL9166710 0.73 CA12 (0.47) TDP1ALOX15L3MBTL1ALDH1A1LMNA
SCHEMBL1025152 0.73 NQO1 (0.44) TDP1ALOX15L3MBTL1ALDH1A1MAPT

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-8440835-B2 Environmentally sensitive fluorophores MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-14 US disclosed
US-20100168428-A1 ENVIRONMENTALLY SENSITIVE FLUOROPHORES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-07-01 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-20100168428-A1 ENVIRONMENTALLY SENSITIVE FLUOROPHORES PTMS, IK, PHAX TDP1 1447/4885ALOX15 4871/4885L3MBTL1 2587/4885

“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.