SCHEMBL5577637

SCHEMBL5577637

COc1ccc(CN2CCCN(c3cccc(CNC(=O)c4cccc(Cl)c4C)c3)CC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 5/20 0.48
HPGD P15428 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
USP2 O75604 2/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRM3 P20309 2/20 0.47
KLKB1 P03952 1/20 0.46
KLK1 P06870 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 3/20 0.46
THRB P10828 1/20 0.46
APEX1 P27695 1/20 0.46
ALOX15 P16050 1/20 0.46
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5577861 0.94 ALDH1A1 (0.49) TSHRMAPK1LMNAHPGDALDH1A1
SCHEMBL5577716 0.90 LMNA (0.56) TSHRMAPK1LMNAHPGDALDH1A1
SCHEMBL5577522 0.88 LMNA (0.45) TSHRMAPK1LMNAHPGDALDH1A1
SCHEMBL5577762 0.88 MT-CO2 (0.49) ALDH1A1MAPTCHRM3KLKB1KLK1
SCHEMBL5577517 0.86 KDM4E (0.52) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL5577869 0.86 SMN1; SMN2 (0.56) TSHRMAPK1LMNAHPGDALDH1A1
SCHEMBL5577506 0.86 CHRM3 (0.54) TSHRMAPK1LMNAHPGDALDH1A1
SCHEMBL5577988 0.84 LMNA (0.47) TSHRMAPK1LMNAHPGDSMN1; SMN2
SCHEMBL5577568 0.84 LMNA (0.49) LMNAHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL5577512 0.84 LMNA (0.47) TSHRMAPK1LMNAHPGDALDH1A1

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 TSHR 4205/4885MAPK1 592/4885LMNA 4819/4885

“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.