SCHEMBL12839072

SCHEMBL12839072

CC(C)Cc1nc(-c2ccc(N)cc2)cnc1NC(=O)Cc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ACVR1 Q04771 2/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
PIK3CA P42336 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
GLS O94925 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL12839074 0.91 ROCK1 (0.40) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL12840037 0.90 KMT2A (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL12839086 0.90 ACVR1 (0.37) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL13067575 0.90 RORC (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL12839948 0.90 NPC1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL12839675 0.90 TMIGD3 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL12839058 0.87 MAPK1 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL12839087 0.85 CACNA1H (0.42) RAB9AKMT2AMEN1MAPK8
SCHEMBL12839536 0.85 ROCK1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL12840039 0.84 KMT2A (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A

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-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 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-20110070656-A1 Fluorescent Proteins CACYBP, CHLSN, LCP2 ALDH1A1 4516/4885SMN1; SMN2 4784/4885NPC1 2936/4885

“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.