SCHEMBL4894367

SCHEMBL4894367

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)ccc2NC(=O)CCC(=O)N(C)Cc2cccnc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.43
PYGL P06737 1/20 0.42
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GRM5 P41594 1/20 0.37
CCKBR P32239 1/20 0.37
MAPK1 P28482 1/20 0.37
RIPK1 Q13546 1/20 0.37
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
GAA P10253 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
SCHEMBL4894933 0.90 DHODH (0.43) DHODHHTTKMT2AKDM4EMAPK1
SCHEMBL4894886 0.90 NPC1 (0.43) LMNAHTTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL4894777 0.85 KMT2A (0.48) LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL14087768 0.83 ALDH1A1 (0.42) LMNAHTTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL4895411 0.82 ALDH1A1 (0.45) LMNASMN1; SMN2HSD17B10ALDH1A1NPSR1
SCHEMBL14103625 0.82 NPC1 (0.41) LMNAHTTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL4894426 0.80 MAPK1 (0.43) HTTALDH1A1NPSR1KMT2AKDM4E
SCHEMBL4884292 0.79 DHODH (0.45) DHODHLMNAHTTKMT2AKDM4E
SCHEMBL4894181 0.79 ALDH1A1 (0.46) LMNATSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL14087736 0.78 SMN1; SMN2 (0.50) LMNASMN1; SMN2HSD17B10ALDH1A1NPSR1

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 DHODH 101/4885PYGL 867/4885LMNA 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.