SCHEMBL4047555

SCHEMBL4047555

NC(=O)c1cccc(CNC[C@H](O)[CH]Cc2ccccc2)c1CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.38
LMNA P02545 4/20 0.35
HPGD P15428 4/20 0.35
ALDH1A1 P00352 3/20 0.35
ADRB1 P08588 3/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
CYP2D6 P10635 2/20 0.35
ADRB2 P07550 2/20 0.35
ADRA2A P08913 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL4038669 0.81 CD274 (0.38) ALDH1A1CYP2D6CYP1A2ITGB1ITGA4
SCHEMBL4041089 0.80 MEN1 (0.35) KDM4EGAASMN1; SMN2RPS6KB1AURKA
SCHEMBL4044662 0.80 ABCB1 (0.39) LMNAHPGDALDH1A1ADRB1ADRA1D
SCHEMBL4044405 0.79 KDM4E (0.37) LMNAALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL4043224 0.79 BCHE (0.35) ADRB1CYP2D6CYP1A2CYP2C19
SCHEMBL4049170 0.78 MPO (0.39) LMNAHPGDALDH1A1ADRB1ADRA1D
SCHEMBL4038893 0.77 SLC6A5 (0.39) LMNAHPGDALDH1A1ADRB1ADRA1D
SCHEMBL5720767 0.77 TXNRD1 (0.39) ALDH1A1KDM4EGAARPS6KB1AURKA
SCHEMBL4041577 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EOPRM1GAAADRA2C
SCHEMBL4040092 0.75 RPS6KB1 (0.37) HPGDALDH1A1CYP2D6KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 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 (2 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 SIRT1 2186/4885LMNA 3702/4885HPGD 2468/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS SIRT1 2489/4885LMNA 4110/4885HPGD 3510/4885

“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.