SCHEMBL12848837

SCHEMBL12848837

CC(C)NC(=O)c1nc2c(s1)C1=C(CCC2)CCN(c2nccs2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC27A1 Q6PCB7 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HPGDS O60760 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SLC6A7 Q99884 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NAMPT P43490 2/20 0.30
▸ HSPA9 P38646 1/20 0.30

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
SCHEMBL12848912 0.83 SLC27A1 (0.36) SLC27A1TRPV1HPGDMEN1HTT
SCHEMBL12848446 0.81 HPGD (0.37) SLC27A1HPGDHTTHPGDSHSD17B10
SCHEMBL12848901 0.81 TP53 (0.38) SLC27A1ALOX15HTTHSD17B10MAPT
SCHEMBL12848839 0.73 SLC27A1 (0.36) SLC27A1TRPV1HRH3HPGDHTT
SCHEMBL12848562 0.68 TP53 (0.37) ALOX15TSHRMEN1HTTHSD17B10
SCHEMBL12848903 0.67 TRPV1 (0.39) SLC27A1TRPV1HPGDHSD17B10
SCHEMBL12848445 0.66 MEN1 (0.38) SLC27A1TRPV1HPGDMEN1HTT
SCHEMBL12848741 0.65 HTR1F (0.38) SLC27A1TRPV1MAPT
SCHEMBL12848841 0.65 MAPT (0.37) MAPT
SCHEMBL11075066 0.64 GRM5 (0.51) SLC27A1HRH3HPGDMEN1HTT

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 SLC27A1 2097/4885TRPV1 220/4885HRH3 297/4885

“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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