SCHEMBL12848446

SCHEMBL12848446

O=C(NC1CC=CCC1)c1nc2c(s1)C1=C(CCC2)CCN(c2nccs2)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.37
▸ SLC27A1 Q6PCB7 1/20 0.34
▸ HPGDS O60760 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.31
▸ HTT P42858 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
SCHEMBL12848852 0.86 DNM1L (0.32) —
SCHEMBL12848837 0.81 SLC27A1 (0.37) HPGDSLC27A1HPGDSHSD17B10HTT
SCHEMBL12848912 0.79 SLC27A1 (0.36) HPGDSLC27A1HSD17B10HTT
SCHEMBL12848901 0.77 TP53 (0.38) SLC27A1HSD17B10HTT
SCHEMBL12848903 0.64 TRPV1 (0.39) HPGDSLC27A1HSD17B10
SCHEMBL12848562 0.64 TP53 (0.37) HSD17B10HTT
SCHEMBL12848839 0.63 SLC27A1 (0.36) HPGDSLC27A1HPGDSHSD17B10HTT
SCHEMBL12848445 0.62 MEN1 (0.38) HPGDSLC27A1HSD17B10HTT
SCHEMBL12848457 0.61 IL2 (0.33) HTT
SCHEMBL12848741 0.60 HTR1F (0.38) SLC27A1

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 HPGD 373/4885SLC27A1 2097/4885HPGDS 67/4885

“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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