SCHEMBL24847112

SCHEMBL24847112

COc1ccc2[nH]c(NCC(=O)Nc3ccc(OC)c(OC)c3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.56
ENPP1 P22413 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ENPP3 O14638 1/20 0.47
ENPP2 Q13822 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NTRK1 P04629 1/20 0.45

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
SCHEMBL29802130 1.00 FPR2 (0.56) FPR2ENPP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL24846568 0.79 ALDH1A1 (0.45) FPR2ENPP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL24846611 0.75 MAPT (0.63) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL31265132 0.73 TUBB4A (0.61) ALDH1A1SMN1; SMN2LMNAHPGDL3MBTL1
SCHEMBL31534664 0.72 MEN1 (0.46) FPR2ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL24846628 0.71 ALDH1A1 (0.55) FPR2ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL31265130 0.71 LMNA (0.53) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL10198313 0.70 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL19427517 0.70 HSD17B10 (0.60) FPR2ALDH1A1SMN1; SMN2POLBCYP1A2
SCHEMBL2953775 0.70 KMT2A (0.55) ALDH1A1SMN1; SMN2LMNAKDM4EL3MBTL1

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-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ATEN PORUS LIFESCIENCES PVT. LTD. (IN) 2023-01-05 US disclosed
CN-114728971-A 2-amino-S6-substituted thiopurine compounds as inhibitors of ENPP1 protein 阿托恩波罗斯生命科学私人有限公司 2022-07-08 CN 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-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ENPP1, ENPP3, PNP FPR2 2212/4885ENPP1 1/4885ALDH1A1 3259/4885

“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.