SCHEMBL16713402

SCHEMBL16713402

CCc1cccc2sc(=O)n(N)c12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ELANE P08246 1/20 0.36
SLC9A1 P19634 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MGLL Q99685 1/20 0.33
IDO1 P14902 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
S1PR5 Q9H228 1/20 0.32
TP53 P04637 1/20 0.32
DAO P14920 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4711987 0.76 L3MBTL1 (0.35) L3MBTL1ALDH1A1MEN1KMT2AELANE
SCHEMBL10720721 0.75 LMNA (0.37) L3MBTL1ALDH1A1MEN1KMT2ASLC9A1
SCHEMBL5369114 0.73 L3MBTL1 (0.44) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9466815 0.68 L3MBTL1 (0.36) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL16713403 0.68 L3MBTL1 (0.38) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12549725 0.64 L3MBTL1 (0.38) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL10816228 0.64 L3MBTL1 (0.41) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL31219281 0.64 MEN1 (0.34) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5693982 0.63 NPEPPS (0.42) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL11319011 0.62 TP53 (0.46) L3MBTL1KDM4EPKMTP53POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 L3MBTL1 4752/4885ALDH1A1 1934/4885MEN1 4771/4885

“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.