SCHEMBL6505997

SCHEMBL6505997

Cc1nc(-c2ncccc2Cl)nn1-c1ccc(COc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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 0.85 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6506918 0.73 MAPK14 (0.33) MRGPRX4SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL6743790 0.71 MRGPRX4 (0.71) MRGPRX4SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6497856 0.71 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6501811 0.70 MRGPRX4 (0.44) MRGPRX4SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8942464 0.70 MRGPRX4 (0.66) MRGPRX4SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8942727 0.69 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL24599906 0.69 MAOB (0.46) MRGPRX4
SCHEMBL8942950 0.69 MRGPRX4 (0.48) MRGPRX4SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL26162744 0.67 MRGPRX4 (0.81) MRGPRX4SMN1; SMN2LMNARAB9A

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 4 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-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 (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-20050009834-A1 Azole compounds, process for preparation of the same and use thereof C1S, CYP4B1, CYP4X1 MRGPRX4 440/4885SMN1; SMN2 4061/4885KMT2A 1067/4885

“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.