SCHEMBL31087165

SCHEMBL31087165

CC(C)(C)OC(=O)NCCCNc1nc2c(c(=O)[nH]1)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ SPR P35270 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ STK17B O94768 1/20 0.43
▸ STK17A Q9UEE5 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ METAP2 P50579 1/20 0.41

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
SCHEMBL31087189 0.78 MAPT (0.50) HPGDBCHEMAPTPKML3MBTL1
SCHEMBL31087172 0.75 HPGD (0.56) HPGDBCHEMAPTLMNAPKM
SCHEMBL609127 0.74 BCHE (0.47) BCHEMAPTL3MBTL1STK17BSTK17A
SCHEMBL31087188 0.72 HPGD (0.59) HPGDMAPTLMNAPKML3MBTL1
SCHEMBL31087181 0.71 MAPT (0.49) HPGDBCHEMAPTLMNAPKM
SCHEMBL31436060 0.70 STK17B (0.58) BCHELMNASTK17BSTK17A
SCHEMBL1251130 0.70 PARP1 (0.51) —
SCHEMBL569251 0.68 TDP1 (0.74) STK17BSTK17A
SCHEMBL4640990 0.68 BCHE (0.87) BCHELMNASMN1; SMN2NPC1RAB9A
SCHEMBL1252631 0.67 PARP1 (0.51) —

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-20240307394-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2024-09-19 — — 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-20240307394-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D AND RELATED PRODUCTS AND METHODS MRGPRX1, MRGPRX4, MRGPRX2 HPGD 831/4885SPR 1401/4885BCHE 4304/4885

“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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