SCHEMBL19625312

SCHEMBL19625312

CC(C)(C)C(=O)Nc1ccc(-c2csc(C(C)(C)C)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.59
▸ NPC1 O15118 13/20 0.59
▸ LMNA P02545 3/20 0.59
▸ PKM P14618 2/20 0.59
▸ SMN1; SMN2 Q16637 7/20 0.55
▸ MAPT P10636 4/20 0.55
▸ TP53 P04637 3/20 0.55
▸ TSHR P16473 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ NFKB1 P19838 3/20 0.49
▸ NFKB2 Q00653 3/20 0.49
▸ RELA Q04206 3/20 0.49
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ GFER P55789 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL19626490 0.87 RAB9A (0.67) RAB9ANPC1LMNAPKMSMN1; SMN2
SCHEMBL19625304 0.87 KMT2A (0.61) RAB9ANPC1LMNAPKMSMN1; SMN2
SCHEMBL19625384 0.86 KIF11 (0.54) RAB9ANPC1LMNAPKMSMN1; SMN2
SCHEMBL19625477 0.77 RAB9A (0.68) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL19625453 0.76 MEN1 (0.53) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL12282347 0.76 LTA4H (0.58) RAB9ANPC1LMNAPKMSMN1; SMN2
SCHEMBL1692265 0.75 PIM1 (0.52) RAB9ANPC1LMNAPKMSMN1; SMN2
SCHEMBL12282550 0.75 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL17626115 0.73 NPC1 (0.60) RAB9ANPC1LMNAPKMSMN1; SMN2
SCHEMBL7733701 0.73 L3MBTL1 (1.00) RAB9ANPC1LMNAPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 — — US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 — — US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 — — 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 (2 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 RAB9A 3162/4885NPC1 2489/4885LMNA 2300/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 RAB9A 3162/4885NPC1 2489/4885LMNA 2300/4885

“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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