SCHEMBL4887013

SCHEMBL4887013

CCC1CC(C)CN(C(=O)N(C(=O)CNC(=O)c2ccccc2)c2ccc(Br)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 3/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35
OPRK1 P41145 1/20 0.35
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL4896093 0.92 KMT2A (0.46) KMT2AKDM4ECTSLCTSBCTSK
SCHEMBL4892456 0.90 THRB (0.38) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4892997 0.82 KMT2A (0.46) KMT2AKDM4EPLA2G1BATG4BMEN1
SCHEMBL4882730 0.81 THRB (0.42) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4892647 0.77 KDM4E (0.45) KMT2AKDM4EMEN1HPGDALDH1A1
SCHEMBL4894897 0.76 KMT2A (0.44) KMT2AKDM4EMEN1HPGDALDH1A1
SCHEMBL4893181 0.73 THRB (0.43) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4883922 0.73 RAB9A (0.50) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL4887565 0.69 SLC6A9 (0.43) KMT2AKDM4ECTSKMEN1HPGD
SCHEMBL4892547 0.69 ALDH1A1 (0.40) KMT2AKDM4EMEN1HPGDALDH1A1

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-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E KMT2A 2650/4885KDM4E 2519/4885CTSL 611/4885

“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.