SCHEMBL13062044

SCHEMBL13062044

N#Cc1cccc(Cn2c3ccccc3c3ccc(C(=O)O)cc32)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.51
FOLH1 Q04609 4/20 0.50
ROCK2 O75116 1/20 0.49
HDAC6 Q9UBN7 3/20 0.48
HDAC8 Q9BY41 2/20 0.48
FABP4 P15090 1/20 0.48
HDAC1 Q13547 2/20 0.47
FEN1 P39748 1/20 0.47
FAAH O00519 1/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
PARP1 P09874 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HDAC10 Q969S8 1/20 0.44
PLA2G10 O15496 1/20 0.44

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
SCHEMBL13011271 0.87 ROCK2 (0.51) CCR2ROCK2HDAC6HDAC8HDAC1
SCHEMBL13011676 0.85 ROCK2 (0.45) CCR2ROCK2HDAC6HDAC8HDAC1
SCHEMBL28039674 0.85 CYP19A1 (0.64) CCR2FOLH1HDAC6FABP4HDAC1
SCHEMBL13011551 0.83 FOLH1 (0.56) CCR2FOLH1HDAC6FABP4HDAC1
SCHEMBL23789536 0.80 CYP19A1 (0.64) CCR2HDAC6HDAC8HDAC1CYP19A1
SCHEMBL13062129 0.79 HCAR3 (0.55) CCR2FOLH1ROCK2HDAC6FABP4
SCHEMBL13011549 0.79 FOLH1 (0.50) CCR2FOLH1HDAC6FABP4HDAC1
SCHEMBL5439956 0.77 FABP4 (0.43) CCR2ROCK2HDAC6HDAC8FABP4
SCHEMBL16093881 0.77 ALDH1A1 (0.68) FOLH1HDAC6FABP4HDAC1CYP19A1
SCHEMBL6432749 0.77 CCR2 (0.62) CCR2HDAC6HDAC8FEN1

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-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E CCR2 3555/4885FOLH1 1213/4885ROCK2 1407/4885

“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.