SCHEMBL5577598

SCHEMBL5577598

Cc1ccccc1C(=O)NCc1cccc(N2CCN(Cc3ccc(F)cc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
MAPK14 Q16539 1/20 0.49
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KLKB1 P03952 2/20 0.47
KLK1 P06870 2/20 0.47
BCHE P06276 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRM3 P20309 2/20 0.46
PRKAA2 P54646 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL5577821 0.93 POLB (0.55) MAPK14POLBKLKB1KLK1BCHE
SCHEMBL5577377 0.91 LMNA (0.53) LMNAPOLBL3MBTL1KLKB1KLK1
SCHEMBL5577814 0.89 HSD17B10 (0.55) LMNAL3MBTL1KDM4EALDH1A1CHRM3
SCHEMBL5577257 0.89 POLB (0.46) MAPK14POLBKLKB1KLK1BCHE
SCHEMBL5577762 0.85 MT-CO2 (0.49) MAPK14KLKB1KLK1KDM4EALDH1A1
SCHEMBL5577261 0.85 LMNA (0.51) LMNAKDM4EALDH1A1CHRM3PRKAA2
SCHEMBL5577506 0.85 CHRM3 (0.54) LMNAGAAKDM4EALDH1A1CHRM3
SCHEMBL5577643 0.85 CHRM3 (0.52) LMNAGAAALDH1A1CHRM3DRD2
SCHEMBL5577761 0.82 CHRM3 (0.58) LMNAKDM4EALDH1A1CHRM3PRKAA2
SCHEMBL5577389 0.81 CHRM3 (0.61) LMNAPOLBL3MBTL1BCHEKDM4E

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 LMNA 4819/4885MAPK14 1053/4885POLB 3375/4885

“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.