SCHEMBL5577671

SCHEMBL5577671

Cc1c(Cl)cccc1C(=O)NCc1scnc1N1CCN(Cc2ccc(F)cc2)CC1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 3/20 0.43
CCR1 P32246 2/20 0.41
P2RX7 Q99572 1/20 0.40
PRKAA2 P54646 2/20 0.40
CXCR3 P49682 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5577384 0.89 ALDH1A1 (0.41) CXCR3MEN1LMNADRD3KMT2A
SCHEMBL5577558 0.87 MT-CO2 (0.47) MT-CO2PRKAA2CXCR3
SCHEMBL5577376 0.86 MAPK8 (0.43) MT-CO2CCR1P2RX7CXCR3MEN1
SCHEMBL5577303 0.84 CCR1 (0.50) CCR1PRKAA2CXCR3MEN1KMT2A
SCHEMBL5577919 0.84 MT-CO2 (0.52) MT-CO2CCR1PRKAA2MEN1LMNA
SCHEMBL5577697 0.84 MT-CO2 (0.43) MT-CO2CCR1P2RX7CXCR3MEN1
SCHEMBL5577874 0.84 MT-CO2 (0.44) MT-CO2PRKAA2CXCR3
SCHEMBL5577283 0.83 MT-CO2 (0.43) MT-CO2CCR1P2RX7PRKAA2CXCR3
SCHEMBL5577587 0.83 MT-CO2 (0.45) MT-CO2P2RX7PRKAA2MEN1LMNA
SCHEMBL5577911 0.82 MT-CO2 (0.45) MT-CO2CCR1P2RX7PRKAA2CXCR3

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 2047/4885CCR1 103/4885P2RX7 1272/4885

“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.