SCHEMBL5577358

SCHEMBL5577358

O=C(NCc1scnc1C1CCN(Cc2ccc(F)cc2)C1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
HTR2A P28223 1/20 0.46
CCR2 P41597 4/20 0.46
CHRM4 P08173 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MCHR1 Q99705 2/20 0.44
HTR2C P28335 1/20 0.44
CXCR3 P49682 2/20 0.44
CCR3 P51677 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SLC6A12 P48065 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL5577341 0.95 CHRM4 (0.47) HTR2ACCR2CHRM4MEN1KMT2A
SCHEMBL5577408 0.86 GAA (0.51) CCR2MCHR1KCNH2
SCHEMBL5577641 0.83 MCHR1 (0.51) DRD2DRD4CCR2CHRM4MEN1
SCHEMBL5577587 0.83 MT-CO2 (0.45) DRD2DRD4HTR2AMEN1KMT2A
SCHEMBL5577683 0.82 LMNA (0.49) MCHR1CCR3SIGMAR1
SCHEMBL5577873 0.81 DRD2 (0.53) DRD2CCR2MEN1KMT2AKCNH2
SCHEMBL5577923 0.81 HTR2C (0.46) DRD2DRD4HTR2ACCR2MEN1
SCHEMBL5577303 0.80 CCR1 (0.50) HTR2ACCR2MEN1KMT2AMCHR1
SCHEMBL5577660 0.80 CXCR3 (0.48) HTR2AMCHR1CXCR3
SCHEMBL5577457 0.80 KCNH2 (0.51) CCR2MEN1KMT2AMCHR1HTR2C

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 DRD2 4468/4885DRD4 4092/4885HTR2A 2585/4885

“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.