SCHEMBL12848559

SCHEMBL12848559

Cn1nnc(N2CCC3=C(C2)c2sc(C(=O)Nc4ccc(F)cc4F)nc2CCC3)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL12848841 0.86 MAPT (0.37) TP53NPC1RAB9AKDM4EMAPT
SCHEMBL12848562 0.83 TP53 (0.37) TP53LMNANPC1RAB9AGAA
SCHEMBL12848901 0.82 TP53 (0.38) TP53LMNANPC1RAB9AKDM4E
SCHEMBL12848456 0.77 — —
SCHEMBL12848849 0.74 HTR1F (0.40) TP53LMNANPC1RAB9AGAA
SCHEMBL12848912 0.68 SLC27A1 (0.36) TP53LMNANPC1RAB9AKDM4E
SCHEMBL12848712 0.68 GSK3B (0.41) TP53LMNANPC1RAB9AGAA
SCHEMBL3823169 0.66 HTR1F (0.44) TP53LMNANPC1RAB9AGAA
SCHEMBL3827961 0.66 HTR1F (0.42) TP53LMNANPC1RAB9AGAA
SCHEMBL5019762 0.65 HTR1F (0.42) TP53LMNAF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — WO 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 TP53 862/4885LMNA 4871/4885NPC1 1042/4885

“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.

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