SCHEMBL4893496

SCHEMBL4893496

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)NCC(=O)N2CCOCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
AAK1 Q2M2I8 1/20 0.38
TP53 P04637 1/20 0.38
ALB P02768 1/20 0.37
DDR1 Q08345 1/20 0.37
DDR2 Q16832 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL21067812 0.86 ALDH1A1 (0.45) MAPTALDH1A1LMNAKDM4ERAB9A
SCHEMBL4884309 0.83 MAPT (0.40) MAPTALDH1A1LMNAKDM4ERAB9A
SCHEMBL4889541 0.82 KDM4E (0.42) MAPTALDH1A1LMNAKDM4ERAB9A
SCHEMBL4896496 0.82 ALDH1A1 (0.44) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL4895027 0.82 ALDH1A1 (0.61) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4884288 0.79 ALDH1A1 (0.41) MAPTALDH1A1LMNAKDM4ERAB9A
SCHEMBL4887300 0.79 CFD (0.49) MAPTALDH1A1LMNAKDM4ERAB9A
SCHEMBL4892038 0.78 SMN1; SMN2 (0.43) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL4886246 0.77 KDM4E (0.44) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL4884232 0.77 ALDH1A1 (0.47) ALDH1A1KDM4E

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 MAPT 3976/4885ALDH1A1 276/4885LMNA 3432/4885

“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.