SCHEMBL4894464

SCHEMBL4894464

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CN2CCOC2=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL14103608 0.91 ALDH1A1 (0.43) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C9
SCHEMBL14087793 0.84 NPC1 (0.39) ALDH1A1MAPK1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL4895027 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C9
SCHEMBL4884321 0.80 KDM4E (0.47) ALDH1A1MAPK1KDM4EGAASMN1; SMN2
SCHEMBL21067812 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EGAASMN1; SMN2L3MBTL1
SCHEMBL4882718 0.78 KDM4E (0.55) ALDH1A1MAPK1KDM4EGAASMN1; SMN2
SCHEMBL14087733 0.78 POLB (0.48) ALDH1A1MAPK1KDM4EGAASMN1; SMN2
SCHEMBL4886246 0.77 KDM4E (0.44) ALDH1A1MAPK1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL4893113 0.77 POLB (0.47) ALDH1A1MAPK1KDM4EGAASMN1; SMN2
SCHEMBL14087731 0.76 POLB (0.46) ALDH1A1MAPK1CYP1A2KDM4ESMN1; 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 ALDH1A1 276/4885MAPK1 3579/4885CYP1A2 1112/4885

“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.