SCHEMBL5577664

SCHEMBL5577664

COc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccccc4F)c3)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
CHRM3 P20309 1/20 0.54
ALDH1A1 P00352 5/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK14 Q16539 1/20 0.51
KDM4E B2RXH2 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.50
APEX1 P27695 1/20 0.50
ABCB1 P08183 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
TSHR P16473 2/20 0.49

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
SCHEMBL5577506 0.90 CHRM3 (0.54) KMT2ACHRM3ALDH1A1HPGDSMN1; SMN2
SCHEMBL5577716 0.89 LMNA (0.56) KMT2ACHRM3ALDH1A1HPGDSMN1; SMN2
SCHEMBL5577717 0.89 CHRM3 (0.58) KMT2ACHRM3ALDH1A1HPGDSMN1; SMN2
SCHEMBL5577742 0.88 CHRM3 (0.52) KMT2ACHRM3ALDH1A1HPGDSMN1; SMN2
SCHEMBL5577312 0.87 SMN1; SMN2 (0.63) KMT2AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL5577661 0.86 ALDH1A1 (0.59) KMT2ACHRM3ALDH1A1HPGDSMN1; SMN2
SCHEMBL5577439 0.86 ALDH1A1 (0.54) KMT2ACHRM3ALDH1A1HPGDSMN1; SMN2
SCHEMBL5577326 0.85 LMNA (0.52) KMT2ACHRM3ALDH1A1HPGDSMN1; SMN2
SCHEMBL5577677 0.85 SMN1; SMN2 (0.54) KMT2ACHRM3ALDH1A1HPGDSMN1; SMN2
SCHEMBL5577833 0.84 FAP (0.56) KMT2ACHRM3ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C KMT2A 3527/4885CHRM3 2099/4885ALDH1A1 1147/4885

“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.