SCHEMBL5577882

SCHEMBL5577882

COc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccc(C)cc4)c3)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
LMNA P02545 3/20 0.59
HPGD P15428 2/20 0.59
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
USP2 O75604 1/20 0.58
HSD17B10 Q99714 1/20 0.58
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CHRM3 P20309 1/20 0.52
KMT2A Q03164 1/20 0.51
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL5577449 0.93 CHRM3 (0.61) SMN1; SMN2LMNAHPGDALDH1A1MAPT
SCHEMBL5577561 0.93 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHPGDALDH1A1MAPT
SCHEMBL5577312 0.93 SMN1; SMN2 (0.63) SMN1; SMN2LMNAHPGDALDH1A1MAPT
SCHEMBL5577661 0.92 ALDH1A1 (0.59) SMN1; SMN2LMNAHPGDALDH1A1MAPT
SCHEMBL5577748 0.92 CHRM3 (0.57) SMN1; SMN2LMNAHPGDALDH1A1MAPT
SCHEMBL5577822 0.91 DRD2 (0.55) SMN1; SMN2LMNAHPGDALDH1A1MAPT
SCHEMBL5577532 0.91 DRD2 (0.55) SMN1; SMN2LMNAHPGDALDH1A1MAPT
Hydrochloric Acid SCHEMBL5577682 0.91 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHPGDALDH1A1MAPT
SCHEMBL5577916 0.91 KMT2A (0.58) SMN1; SMN2LMNAHPGDALDH1A1MAPT
SCHEMBL5577922 0.90 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHPGDALDH1A1MAPT

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 SMN1; SMN2 2012/4885LMNA 4819/4885HPGD 855/4885

“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.