SCHEMBL4889436

SCHEMBL4889436

Cc1cnc(CNC(=O)Nc2ccc(Br)cc2C(=O)N2C[C@H](C)C[C@H](C)C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.38
SORT1 Q99523 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PDE5A O76074 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
SCD O00767 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 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
SCHEMBL4896179 0.85 RAB9A (0.58) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4893146 0.85 EPHX2 (0.44) NPC1RAB9AKDM4EHTTSMN1; SMN2
SCHEMBL4892221 0.84 ALDH1A1 (0.48) NPC1RAB9AKDM4EHTTSMN1; SMN2
SCHEMBL4884232 0.82 ALDH1A1 (0.47) KDM4EHTTALDH1A1GAA
SCHEMBL4887300 0.82 CFD (0.49) RAB9AKDM4EHTTL3MBTL1ALDH1A1
SCHEMBL4887422 0.81 NAMPT (0.54) KDM4ESMN1; SMN2L3MBTL1ALDH1A1TSHR
SCHEMBL4892975 0.79 CYP1A2 (0.50) NPC1RAB9AKDM4EHTTSMN1; SMN2
SCHEMBL4883875 0.79 HDAC1 (0.40) KDM4EHTTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4889541 0.78 KDM4E (0.42) RAB9AKDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL14102829 0.76 EPHX2 (0.42) NPC1RAB9AKDM4EHTTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO 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
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 NPC1 1880/4885RAB9A 2778/4885KDM4E 2519/4885

“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.