SCHEMBL5753185

SCHEMBL5753185

O=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 1.00
ALDH1A1 P00352 5/20 1.00
USP2 O75604 1/20 0.72
HSD17B10 Q99714 1/20 0.66
NPSR1 Q6W5P4 3/20 0.66
KDM4E B2RXH2 1/20 0.65
LMNA P02545 1/20 0.65
KDM1A O60341 1/20 0.62
RCOR1 Q9UKL0 1/20 0.62
TP53 P04637 3/20 0.61
NPC1 O15118 1/20 0.61
MAPT P10636 1/20 0.61
RAB9A P51151 1/20 0.61
ATM Q13315 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
KMT2A Q03164 3/20 0.58
GFER P55789 1/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL4391278 0.91 TSHR (0.83) TSHRALDH1A1USP2HSD17B10NPSR1
SCHEMBL4381618 0.91 TSHR (0.83) TSHRALDH1A1USP2HSD17B10NPSR1
SCHEMBL6001948 0.86 ALDH1A1 (0.75) TSHRALDH1A1USP2HSD17B10NPSR1
SCHEMBL7265734 0.84 KDM4E (0.78) TSHRALDH1A1HSD17B10NPSR1KDM4E
SCHEMBL7265745 0.84 KDM4E (0.78) TSHRALDH1A1HSD17B10NPSR1KDM4E
SCHEMBL4613461 0.84 NPSR1 (0.73) TSHRALDH1A1HSD17B10NPSR1KDM4E
SCHEMBL13388185 0.84 KDM4E (0.77) TSHRALDH1A1HSD17B10NPSR1KDM4E
SCHEMBL13588884 0.83 KDM4E (0.76) TSHRALDH1A1HSD17B10NPSR1KDM4E
SCHEMBL4397563 0.83 KDM4E (0.76) TSHRALDH1A1HSD17B10NPSR1KDM4E
SCHEMBL4387714 0.83 KDM4E (0.76) TSHRALDH1A1HSD17B10NPSR1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148242-B2 N-formyl hydroxylamine compounds, compositions and methods of use NOVARTIS AG (CH) 2006-12-12 US disclosed
EP-1401828-B1 N-FORMYL HYDROXYLAMINE COMPOUNDS AS INHIBITORS OF PDF VICURON PHARM INC (US) 2006-04-12 EP disclosed
EP-1401828-A1 N-FORMYL HYDROXYLAMINE COMPOUNDS AS INHIBITORS OF PDF Vicuron Pharmaceuticals, Inc. (US) 2004-03-31 EP disclosed
US-20030045479-A1 Novel N-formyl hydroxylamine compounds, compositions and methods of use VICURON HOLDINGS LLC 2003-03-06 US disclosed
WO-2002102790-A1 N-FORMYL HYDROXYLAMINE COMPOUNDS AS INHIBITORS OF PDF VICURON PHARMACEUTICALS INC. (US) 2002-12-27 WO 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-20030045479-A1 Novel N-formyl hydroxylamine compounds, compositions and methods of use PDF, HNMT, AADAC TSHR 3513/4885ALDH1A1 2056/4885USP2 3529/4885

“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.