SCHEMBL6506918

SCHEMBL6506918

Cc1nc(-c2c(F)cccc2Cl)nn1-c1ccc(COc2ncc(Cl)cc2Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
GABRA1 P14867 3/20 0.33
GABRA2 P47869 3/20 0.33
RARG P13631 2/20 0.32
RORC P51449 2/20 0.32
SCN9A Q15858 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SCN5A Q14524 1/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
SLC6A4 P31645 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL6507018 0.89 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL6499919 0.79 KMT2A (0.38) RARGRORCSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8305282 0.74 NR1H2 (0.35) GABRA1GABRA2SCN9ASMN1; SMN2PPARG
SCHEMBL6505997 0.73 MRGPRX4 (0.48) MRGPRX4SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL8942727 0.73 MRGPRX4 (0.47) MRGPRX4SCN9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL6501925 0.72 MAPT (0.53) SMN1; SMN2ALDH1A1KMT2ALMNAHPGD
SCHEMBL6497856 0.71 MRGPRX4 (0.47) MRGPRX4SCN9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8301628 0.70 MRGPRX4 (0.48) MRGPRX4SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL8942950 0.69 MRGPRX4 (0.48) MRGPRX4SCN9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL26766260 0.66 PDE2A (0.41) SMN1; SMN2ALDH1A1KMT2ALMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009834-A1 Azole compounds, process for preparation of the same and use thereof SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2005-01-13 US claimed
EP-1386915-A1 AZOLE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Sumitomo Chemical Takeda Agro Company, Limited (JP) 2004-02-04 EP claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
US-20050009834-A1 Azole compounds, process for preparation of the same and use thereof SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2005-01-13 US disclosed
EP-1386915-A1 AZOLE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Sumitomo Chemical Takeda Agro Company, Limited (JP) 2004-02-04 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 (2 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-20050009834-A1 Azole compounds, process for preparation of the same and use thereof C1S, CYP4B1, CYP4X1 MAPK14 3693/4885MRGPRX4 440/4885GABRA1 958/4885
US-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 MAPK14 4087/4885MRGPRX4 833/4885GABRA1 1167/4885

“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.