SCHEMBL31087189

SCHEMBL31087189

COc1ccc(C(C)(C)C(=O)NCCCNc2nc3c(c(=O)[nH]2)CCCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ TNKS O95271 5/20 0.45
▸ TNKS2 Q9H2K2 5/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HPGD P15428 1/20 0.44
▸ CLPP Q16740 1/20 0.42
▸ PARP1 P09874 2/20 0.42
▸ PARP2 Q9UGN5 2/20 0.42
▸ BCHE P06276 4/20 0.42
▸ ACHE P22303 4/20 0.42
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CHRM1 P11229 3/20 0.41
▸ DCTPP1 Q9H773 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL31087181 0.94 MAPT (0.49) MAPTTNKSTNKS2SMN1; SMN2HPGD
SCHEMBL31087165 0.78 HPGD (0.46) MAPTSMN1; SMN2HPGDBCHEPKM
SCHEMBL23542291 0.70 MAPT (0.59) MAPTTNKSTNKS2HPGDPARP1
SCHEMBL31087172 0.68 HPGD (0.56) MAPTSMN1; SMN2HPGDBCHEACHE
SCHEMBL23542298 0.68 MAPT (0.61) MAPTTNKSTNKS2SMN1; SMN2HPGD
SCHEMBL31087188 0.66 HPGD (0.59) MAPTTNKSTNKS2SMN1; SMN2HPGD
SCHEMBL22424056 0.65 CLPP (0.56) MAPTTNKS2SMN1; SMN2HPGDCLPP
SCHEMBL22423945 0.64 CLPP (0.58) MAPTTNKSTNKS2SMN1; SMN2HPGD
SCHEMBL31087186 0.64 ALDH1A1 (0.51) MAPTTNKSTNKS2SMN1; SMN2CLPP
SCHEMBL17476968 0.63 TNKS2 (0.69) MAPTTNKSTNKS2SMN1; SMN2HPGD

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 MAPT 3797/4885TNKS 4715/4885TNKS2 4774/4885

“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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