SCHEMBL4669452

SCHEMBL4669452

O=C(NCc1ccccc1)C1c2ccccc2Oc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 1.00
L3MBTL1 Q9Y468 3/20 0.66
POLB P06746 2/20 0.66
PABPC1 P11940 1/20 0.66
EIF4H Q15056 1/20 0.66
HSD17B10 Q99714 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
MAPK1 P28482 1/20 0.64
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
KMT2A Q03164 3/20 0.61

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
SCHEMBL6649484 0.82 LMNA (0.69) LMNAHSD17B10HDAC3HDAC4HDAC7
SCHEMBL8819860 0.77 KMT2A (0.63) LMNAL3MBTL1POLBPABPC1EIF4H
SCHEMBL6695263 0.77 HDAC3 (0.69) LMNAL3MBTL1POLBHDAC3HDAC4
SCHEMBL11569959 0.76 LMNA (0.61) LMNAL3MBTL1POLBPABPC1EIF4H
SCHEMBL2843958 0.76 HDAC4 (1.00) LMNAL3MBTL1POLBPABPC1EIF4H
SCHEMBL4686638 0.76 LMNA (0.60) LMNAL3MBTL1POLBPABPC1EIF4H
SCHEMBL4687584 0.76 LMNA (0.60) LMNAL3MBTL1POLBPABPC1EIF4H
SCHEMBL217745 0.75 HDAC3 (0.71) LMNAL3MBTL1POLBPABPC1EIF4H
SCHEMBL14249309 0.75 HDAC3 (0.71) LMNAL3MBTL1HDAC3HDAC4HDAC1
Xanthene Carboxylic Acid SCHEMBL30011680 0.74 ATM (0.68) LMNAL3MBTL1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 EP disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 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-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 LMNA 1399/4885L3MBTL1 4487/4885POLB 1855/4885

“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.