SCHEMBL5577334

SCHEMBL5577334

Cc1c(Cl)cccc1C(=O)NCc1cnc(C2CCN(Cc3ccc(F)cc3)CC2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.45
PRKAA2 P54646 2/20 0.42
DRD3 P35462 2/20 0.42
ACKR3 P25106 1/20 0.41
HTR4 Q13639 1/20 0.41
PTBP1 P26599 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MCHR1 Q99705 2/20 0.40
CXCR3 P49682 1/20 0.39
OGA O60502 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
HTR2C P28335 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL5577720 0.96 MT-CO2 (0.44) MT-CO2PRKAA2DRD3ACKR3HTR4
SCHEMBL5577633 0.87 JAK1 (0.43) ACKR3HTR4ALDH1A1LMNAHTR2C
SCHEMBL5577474 0.85 MT-CO2 (0.46) MT-CO2PRKAA2ALDH1A1LMNATP53
SCHEMBL5577426 0.84 PDE5A (0.41) DRD3ACKR3ALDH1A1LMNAMEN1
SCHEMBL5577543 0.83 MT-CO2 (0.44) MT-CO2PRKAA2MCHR1HTR2CMEN1
SCHEMBL5577544 0.83 CXCR3 (0.46) PRKAA2CHRM1MCHR1CXCR3HTR2C
SCHEMBL5577431 0.82 MT-CO2 (0.46) MT-CO2PRKAA2DRD3ACKR3HTR4
SCHEMBL5577678 0.82 MT-CO2 (0.44) MT-CO2PRKAA2ALDH1A1LMNATP53
SCHEMBL5577283 0.81 MT-CO2 (0.43) MT-CO2PRKAA2DRD3ALDH1A1LMNA
SCHEMBL5577815 0.81 MT-CO2 (0.48) MT-CO2PRKAA2DRD3ACKR3HTR4

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 MT-CO2 2047/4885PRKAA2 4492/4885DRD3 4080/4885

“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.