SCHEMBL3560835

SCHEMBL3560835

COC(=O)c1ccccc1/C=C/Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
BACE1 P56817 1/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AR P10275 1/20 0.47
ALDH1A1 P00352 7/20 0.46
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
GSK3B P49841 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
CTSD P07339 1/20 0.43

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
SCHEMBL3560837 1.00 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMEN1KMT2ABACE1
SCHEMBL3846868 0.81 MAPT (0.53) SMN1; SMN2KDM4EMEN1KMT2ABACE1
SCHEMBL3561197 0.80 AR (0.48) SMN1; SMN2KDM4EMEN1KMT2ABACE1
SCHEMBL3561199 0.80 AR (0.48) SMN1; SMN2KDM4EMEN1KMT2ABACE1
SCHEMBL25666676 0.79 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL1805977 0.78 RAB9A (0.64) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL1805971 0.78 RAB9A (0.64) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL3562126 0.76 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL195311 0.76 ALDH1A1 (0.62) SMN1; SMN2KDM4EKMT2AMAPTNPSR1
SCHEMBL29084737 0.76 BRAF (0.60) SMN1; SMN2KDM4EMEN1KMT2ABACE1

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-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 SMN1; SMN2 4522/4885KDM4E 1045/4885MEN1 2548/4885

“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.