SCHEMBL19604833

SCHEMBL19604833

COC(=O)CSc1nc2ccc(OC)c(C=O)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ FPR2 P25090 2/20 0.44
▸ MPO P05164 1/20 0.43
▸ ENPP1 P22413 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CLK1 P49759 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ FPR1 P21462 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
SCHEMBL30406117 0.90 CSNK2A2 (0.51) KMT2ASMN1; SMN2FPR2ALDH1A1HPGD
SCHEMBL2592561 0.90 CSNK2A2 (0.51) KMT2ASMN1; SMN2FPR2ALDH1A1HPGD
SCHEMBL2571973 0.89 KMT2A (0.46) KMT2AFPR2MPOENPP1ALDH1A1
SCHEMBL22840417 0.81 CSNK2A2 (0.48) KMT2ASMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL14916139 0.72 KMT2A (0.50) KMT2AALDH1A1HPGDALOX15MAPK1
SCHEMBL2568967 0.70 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAHPGDKDM4E
SCHEMBL2570516 0.68 ALDH1A1 (0.41) KMT2ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL14930174 0.67 ERN1 (0.51) KMT2ASMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL20687573 0.66 ENPP1 (0.61) FPR2ENPP1
SCHEMBL16198383 0.62 ENPP1 (0.57) FPR2ENPP1PRMT5LMNAWDR77

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-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 — — 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-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 KMT2A 4481/4885SMN1; SMN2 952/4885FPR2 3884/4885

“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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