SCHEMBL5577607

SCHEMBL5577607

O=C(NCc1cccc(C2CCN(Cc3ccc(Cl)cc3)CC2)c1)c1cc2ccccc2o1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.57
DRD3 P35462 1/20 0.53
TP53 P04637 3/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
BCHE P06276 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOB P27338 1/20 0.48
IDO1 P14902 1/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL5577545 0.84 ALDH1A1 (0.53) TP53HPGDALDH1A1NPC1RAB9A
SCHEMBL5577611 0.84 MEN1 (0.59) ACHEALDH1A1MEN1KMT2A
SCHEMBL5577378 0.83 DRD4 (0.64) BCHEMEN1KMT2ADRD4
SCHEMBL5577618 0.81 CHRM3 (0.60) HPGDMEN1KMT2AIDO1
SCHEMBL9727117 0.80 DRD4 (0.67) ACHETP53SMN1; SMN2NPC1MAPK1
SCHEMBL5577612 0.79 CHRM3 (0.56) MEN1KMT2A
SCHEMBL5577353 0.79 CHRM3 (0.56) MEN1KMT2A
SCHEMBL5577693 0.77 CHRM3 (0.54) MEN1KMT2ADRD4
SCHEMBL5577563 0.76 DRD2 (0.58) TP53MEN1KMT2A
SCHEMBL5577405 0.76 CCR2 (0.65) MEN1KMT2ATDP1

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 ACHE 1504/4885DRD3 4080/4885TP53 397/4885

“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.