SCHEMBL1893585

SCHEMBL1893585

CCCc1nc2cc(N(Cc3ccccc3)C(=O)C(C)C)ccc2n1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.45
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
TSHR P16473 1/20 0.41
PPARG P37231 9/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
GAA P10253 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL1884541 0.89 APEX1 (0.47) APEX1LMNAMAPTAGTR1AGTR2
SCHEMBL1887412 0.89 APEX1 (0.43) APEX1LMNAMAPTAGTR1AGTR2
SCHEMBL1885462 0.89 KDM4E (0.39) LMNAMAPTAGTR1AGTR2TSHR
SCHEMBL1891061 0.83 APEX1 (0.42) APEX1LMNAMAPTAGTR1AGTR2
SCHEMBL1883677 0.83 RAB9A (0.51) APEX1LMNAMAPTAGTR1AGTR2
SCHEMBL1887851 0.83 PTGDR2 (0.47) APEX1AGTR1AGTR2PPARGGAA
SCHEMBL1886357 0.83 ITK (0.49) APEX1AGTR1AGTR2PPARG
SCHEMBL1890681 0.83 CNR2 (0.43) APEX1LMNAMAPTAGTR1AGTR2
SCHEMBL1891736 0.83 CNR2 (0.45) APEX1LMNAMAPTPPARG
SCHEMBL1884488 0.83 MEN1 (0.45) APEX1LMNAAGTR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US disclosed
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 US 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-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof HRH2, TBXA2R, PTGDR2 APEX1 4106/4885LMNA 4735/4885MAPT 4765/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 APEX1 4106/4885LMNA 4735/4885MAPT 4765/4885

“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.