SCHEMBL5956629

SCHEMBL5956629

COC(=O)c1ccc(-c2cc(CC(=O)c3cccc(C)n3)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.47
LOXL2 Q9Y4K0 2/20 0.43
PKM P14618 1/20 0.41
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
WNT3A P56704 1/20 0.40
POLB P06746 2/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 3/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5956662 0.88 LOXL2 (0.55) TGFBR1LOXL2NPC1RAB9AWNT3A
SCHEMBL5956440 0.87 WNT3A (0.43) MAPTNPC1RAB9AWNT3AKDM4E
SCHEMBL5956490 0.84 WNT3A (0.39) TGFBR1LOXL2WNT3AP2RX7
SCHEMBL5956384 0.83 SCN10A (0.47) WNT3AKDM4CABL1
SCHEMBL5956453 0.82 TGFBR1 (0.45) TGFBR1LOXL2WNT3A
SCHEMBL5956561 0.81 ACACA (0.43) TGFBR1LOXL2MAPTWNT3AMEN1
SCHEMBL5956509 0.81 IRAK4 (0.41) TGFBR1LOXL2MAPTWNT3AKDM4E
SCHEMBL5956496 0.79 HPGD (0.50) TGFBR1NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL5956479 0.79 TGFBR1 (0.57) TGFBR1
SCHEMBL5790926 0.78 HDAC1 (0.46) MAPTNPC1RAB9AWNT3AKDM4E

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-20060004051-A1 Compounds DODIC NERINA 2006-01-05 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-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 TGFBR1 3/4885LOXL2 758/4885PKM 747/4885

“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.