SCHEMBL4890211

SCHEMBL4890211

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)C2CC(=O)N(Cc3ccc(Cl)cc3)C2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 5/20 0.47
POLB P06746 4/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.45
PKM P14618 2/20 0.45
MAPT P10636 3/20 0.43
P2RX7 Q99572 1/20 0.42
GAA P10253 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4895122 0.85 P2RX7 (0.44) SMN1; SMN2ALDH1A1POLBKDM4EKMT2A
SCHEMBL4898783 0.81 AAK1 (0.51) SMN1; SMN2ALDH1A1POLBKDM4ELMNA
SCHEMBL4894721 0.77 AAK1 (0.43) SMN1; SMN2ALDH1A1POLBKDM4ELMNA
SCHEMBL4890917 0.73 KDM4E (0.41) SMN1; SMN2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL4884321 0.72 KDM4E (0.47) SMN1; SMN2ALDH1A1POLBKDM4ELMNA
SCHEMBL14087734 0.72 MEN1 (0.44) SMN1; SMN2ALDH1A1POLBKDM4ELMNA
SCHEMBL4884311 0.71 KDM4E (0.48) SMN1; SMN2ALDH1A1POLBKDM4ELMNA
SCHEMBL14112953 0.71 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL14087733 0.70 POLB (0.48) SMN1; SMN2ALDH1A1POLBKDM4ELMNA
SCHEMBL4882718 0.70 KDM4E (0.55) SMN1; SMN2ALDH1A1POLBKDM4EKMT2A

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 SMN1; SMN2 4735/4885ALDH1A1 276/4885POLB 79/4885

“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.