SCHEMBL4884230

SCHEMBL4884230

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)ccc2NC(=O)CCC(=O)c2ccccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRM5 P41594 3/20 0.42
KMT2A Q03164 3/20 0.41
RBP4 P02753 1/20 0.41
MCHR1 Q99705 1/20 0.41
CCKBR P32239 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL4894528 0.89 MAPT (0.43) MAPTALDH1A1GRM5KMT2ASMN1; SMN2
SCHEMBL4889408 0.87 KMT2A (0.45) MAPTALDH1A1NPSR1GRM5KMT2A
SCHEMBL14102877 0.84 GRM5 (0.41) MAPTALDH1A1NPSR1GRM5KMT2A
SCHEMBL14087768 0.83 ALDH1A1 (0.42) ALDH1A1NPSR1GRM5KMT2ACCKBR
SCHEMBL14087736 0.82 SMN1; SMN2 (0.50) ALDH1A1NPSR1KMT2ACCKBRSMN1; SMN2
SCHEMBL4892026 0.81 RAB9A (0.49) ALDH1A1NPSR1KMT2ASMN1; SMN2MEN1
SCHEMBL4894777 0.81 KMT2A (0.48) MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL4896120 0.81 POLB (0.51) MAPTALDH1A1NPSR1KMT2ASMN1; SMN2
SCHEMBL4895411 0.80 ALDH1A1 (0.45) ALDH1A1NPSR1KMT2ACCKBRSMN1; SMN2
SCHEMBL4894181 0.78 ALDH1A1 (0.46) ALDH1A1NPSR1KMT2ACCKBRSMN1; 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 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 276/4885NPSR1 2465/4885

“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.