SCHEMBL12848853

SCHEMBL12848853

Cc1csc(N2CCC3=C(C2)c2ncc(NC(=O)c4ccc(F)cc4F)nc2CCC3)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 1/20 0.37
▸ PIK3C3 Q8NEB9 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ DNM1L O00429 1/20 0.34
▸ PYGL P06737 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GPR6 P46095 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 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
SCHEMBL12848741 0.88 HTR1F (0.38) HTR1FPIK3C3NPC1RAB9AMAPT
SCHEMBL12848849 0.82 HTR1F (0.40) HTR1FPIK3C3NPC1RAB9AMAPT
SCHEMBL3831410 0.80 HTR1F (0.40) HTR1FPIK3C3NPC1RAB9AMAPT
SCHEMBL13770701 0.75 HTR1F (0.38) HTR1FPIK3C3NPC1RAB9AMAPT
SCHEMBL12848445 0.74 MEN1 (0.38) HTR1FNPC1RAB9AMAPTALDH1A1
SCHEMBL12848851 0.73 ADORA2A (0.33) NPC1RAB9AMAPTALDH1A1FAAH
SCHEMBL12848839 0.69 SLC27A1 (0.36) MAPTALDH1A1NPSR1
SCHEMBL1780500 0.68 HTR1F (0.40) HTR1FPIK3C3NPC1RAB9AMAPT
SCHEMBL12848903 0.68 TRPV1 (0.39) —
Hydrochloric Acid SCHEMBL3827236 0.68 HTR1F (0.40) HTR1FPIK3C3NPC1RAB9AMAPT

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 HTR1F 3815/4885PIK3C3 3159/4885NPC1 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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