SCHEMBL5176402

SCHEMBL5176402

O=C(O)c1cc(Cl)cc(COc2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.53
NR4A2 P43354 4/20 0.52
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
CYP17A1 P05093 1/20 0.50
CYP21A2 P08686 1/20 0.50
CYP11B1 P15538 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
ALOX15 P16050 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 2/20 0.46
GPR132 Q9UNW8 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5176764 0.85 MRGPRX4 (0.60) MRGPRX4NR4A2RXRARXRBRXRG
SCHEMBL18906070 0.83 MRGPRX4 (0.67) MRGPRX4NR4A2RAB9ASMN1; SMN2
SCHEMBL1749879 0.81 NR4A2 (0.59) NR4A2RXRARXRBRXRGNPSR1
SCHEMBL17922981 0.79 NOS1 (0.47) CYP17A1CYP21A2CYP11B1NPSR1RAB9A
SCHEMBL6204996 0.79 NR4A2 (0.65) NR4A2RXRARXRBRXRGNPSR1
SCHEMBL17085544 0.77 MEN1 (0.65) MRGPRX4NR4A2KMT2AMEN1GPR132
SCHEMBL5176315 0.76 MRGPRX4 (0.66) MRGPRX4NR4A2RXRARXRBRXRG
SCHEMBL5176618 0.76 NR4A2 (0.64) MRGPRX4NR4A2RXRARXRBRXRG
SCHEMBL5176108 0.76 MEN1 (0.59) MRGPRX4NR4A2RXRARXRBRXRG
SCHEMBL5944017 0.75 NR4A2 (0.63) MRGPRX4NR4A2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791810-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 WO 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-20060116410-A1 4-Aminomethyl benzamidine derivatives F7, HABP2, F12 MRGPRX4 126/4885NR4A2 3061/4885RXRA 2218/4885

“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.