SCHEMBL4887422

SCHEMBL4887422

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)NCc2cccnc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SHMT2 P34897 1/20 0.46

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
SCHEMBL14103621 0.91 NAMPT (0.52) NAMPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL4884232 0.89 ALDH1A1 (0.47) NAMPTKDM4EALDH1A1
SCHEMBL4887300 0.89 CFD (0.49) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL14087739 0.87 KMT2A (0.44) NAMPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL4884292 0.84 DHODH (0.45) NAMPTKMT2AKDM4E
SCHEMBL4896179 0.83 RAB9A (0.58) KMT2AKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4883875 0.81 HDAC1 (0.40) NAMPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL4889436 0.81 NPC1 (0.40) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL4894933 0.81 DHODH (0.43) NAMPTKMT2AMEN1KDM4E
SCHEMBL4882720 0.80 HTT (0.50) KMT2AMEN1KDM4EALDH1A1HPGD

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 3 patents. 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
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
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 NAMPT 3087/4885KMT2A 2650/4885MEN1 3917/4885

“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.