SCHEMBL4898783

SCHEMBL4898783

CC(C)N1CC(C(=O)Nc2ccc(Br)cc2C(=O)N2C[C@H](C)C[C@H](C)C2)CC1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.51
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 3/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40

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 0.87 P2RX7 (0.44) AAK1KMT2AHSD17B10POLBSMN1; SMN2
SCHEMBL4894721 0.82 AAK1 (0.43) AAK1KMT2APOLBLMNAL3MBTL1
SCHEMBL4890211 0.81 SMN1; SMN2 (0.47) KMT2AHSD17B10POLBLMNASMN1; SMN2
SCHEMBL14087734 0.77 MEN1 (0.44) AAK1KMT2APOLBLMNAL3MBTL1
SCHEMBL4890917 0.77 KDM4E (0.41) AAK1KMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL4884311 0.76 KDM4E (0.48) AAK1KMT2APOLBLMNAL3MBTL1
SCHEMBL4884281 0.76 KDM4E (0.44) AAK1KMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL4892789 0.75 KDM4E (0.39) AAK1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL14087809 0.75 L3MBTL1 (0.43) AAK1KMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL4744922 0.75 L3MBTL1 (0.43) AAK1KMT2ALMNAL3MBTL1SMN1; 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 AAK1 3977/4885KMT2A 2650/4885HSD17B10 240/4885

“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.