SCHEMBL12839631

SCHEMBL12839631

CCCc1nc(-c2ccc(OC)cc2)cnc1NC(=O)Cc1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
ADRB2 P07550 1/20 0.46
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
ROCK1 Q13464 1/20 0.45
APP P05067 1/20 0.45
WNT3A P56704 2/20 0.44
LMNA P02545 1/20 0.43
MAPK8 P45983 1/20 0.43
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
MAPK10 P53779 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL12838981 0.92 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL12839629 0.91 MTOR (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL12839633 0.90 TP53 (0.48) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL12839635 0.90 MEN1 (0.50) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL12839630 0.90 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL12840059 0.90 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL12838525 0.90 APP (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL12839096 0.89 ROCK1 (0.40) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL12839070 0.88 MAPK1 (0.41) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL12840421 0.88 KMT2A (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A

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-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 US disclosed
EP-1666488-B1 FLUORESCENT PROTEIN CHISSO CORP (JP) 2010-11-17 EP 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-20110070656-A1 Fluorescent Proteins CACYBP, CHLSN, LCP2 ALDH1A1 4516/4885SMN1; SMN2 4784/4885KDM4E 4699/4885

“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.