SCHEMBL6318077

SCHEMBL6318077

Cc1c(-c2ccccc2)c(C2CCC(=O)C2)n2c(nc3ccccc32)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.48
ALDH1A1 P00352 9/20 0.48
LMNA P02545 5/20 0.48
NPSR1 Q6W5P4 4/20 0.48
RXFP1 Q9HBX9 3/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 7/20 0.47
MAPT P10636 5/20 0.47
GLA P06280 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 2/20 0.47
XBP1 P17861 1/20 0.47
HPGD P15428 3/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MDM2 Q00987 1/20 0.44

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
SCHEMBL6310660 0.82 KDM4E (0.49) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL6311914 0.80 KDM4E (0.47) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL6312668 0.77 ALDH1A1 (0.44) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL6310360 0.74 MAPT (0.67) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL6310820 0.73 ALDH1A1 (0.55) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL6310825 0.71 ALDH1A1 (0.52) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL6320385 0.71 ALDH1A1 (0.52) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL6311155 0.71 PRF1 (0.43) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL6320383 0.71 ALDH1A1 (0.51) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL6317936 0.70 ALDH1A1 (0.55) KDM4EALDH1A1LMNANPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154164-A1 Acetylene polymers showing reversible changes in absorption and emission spectra NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2005-07-14 US disclosed
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 KDM4E 3360/4885ALDH1A1 2550/4885LMNA 3993/4885

“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.