SCHEMBL31087186

SCHEMBL31087186

COc1ccc(CCC(=O)N2CCC(Nc3nc4c(c(=O)[nH]3)CCCC4)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAPT P10636 3/20 0.47
▸ TNKS O95271 4/20 0.46
▸ TNKS2 Q9H2K2 4/20 0.46
▸ PARP1 P09874 2/20 0.46
▸ PARP2 Q9UGN5 2/20 0.46
▸ FKBP1A P62942 1/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ GPBAR1 Q8TDU6 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ C3AR1 Q16581 1/20 0.44
▸ ME2 P23368 1/20 0.44
▸ ME1 P48163 1/20 0.44
▸ ME3 Q16798 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CLPP Q16740 1/20 0.43
▸ EHMT2 Q96KQ7 1/20 0.43

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
SCHEMBL31087174 0.75 SPR (0.52) ALDH1A1MAPTPARP1EHMT2
SCHEMBL17252127 0.74 TNKS (0.65) TNKSTNKS2PARP1PARP2
SCHEMBL10305162 0.73 FKBP1A (0.76) ALDH1A1TSHRKMT2AMAPTFKBP1A
SCHEMBL21064517 0.72 GPBAR1 (0.53) ALDH1A1TSHRKMT2AMAPTTNKS
SCHEMBL2833225 0.71 KMT2A (0.80) ALDH1A1TSHRKMT2AMAPTFKBP1A
SCHEMBL20989035 0.71 FKBP1A (0.59) ALDH1A1TSHRKMT2AMAPTFKBP1A
SCHEMBL4383272 0.69 ALDH1A1 (0.98) ALDH1A1TSHRKMT2AFKBP1AME2
SCHEMBL4384079 0.68 ALDH1A1 (1.00) ALDH1A1TSHRKMT2AFKBP1AME2
SCHEMBL31087187 0.67 MAPT (0.56) ALDH1A1TSHRMAPTSMN1; SMN2EHMT2
SCHEMBL14218027 0.66 FKBP1A (0.69) ALDH1A1TSHRKMT2AMAPTFKBP1A

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 ALDH1A1 3659/4885TSHR 120/4885KMT2A 4353/4885

“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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