SCHEMBL3206835

SCHEMBL3206835

COCCOc1ccc(C=CC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
ALDH1A1 P00352 5/20 0.46
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MAPK1 P28482 3/20 0.43
RAB9A P51151 3/20 0.43
BACE1 P56817 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 4/20 0.41
ATM Q13315 2/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3206821 1.00 MAPT (0.50) MAPTALDH1A1PTGS2SMN1; SMN2MAPK1
SCHEMBL708119 0.84 ALDH1A1 (0.61) MAPTALDH1A1PTGS2SMN1; SMN2MAPK1
SCHEMBL3578531 0.84 ALDH1A1 (0.61) MAPTALDH1A1PTGS2SMN1; SMN2MAPK1
SCHEMBL708120 0.84 ALDH1A1 (0.61) MAPTALDH1A1PTGS2SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL15652345 0.83 ALDH1A1 (0.60) MAPTALDH1A1PTGS2SMN1; SMN2MAPK1
SCHEMBL3218889 0.82 GAA (0.46) MAPTALDH1A1PTGS2MAPK1RAB9A
SCHEMBL3218876 0.82 GAA (0.46) MAPTALDH1A1PTGS2MAPK1RAB9A
SCHEMBL3218881 0.82 GAA (0.46) MAPTALDH1A1PTGS2MAPK1RAB9A
SCHEMBL4316579 0.82 MAPT (0.48) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL3213628 0.81 MAPT (0.45) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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 (3 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 MAPT 4588/4885ALDH1A1 212/4885PTGS2 1549/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 MAPT 4612/4885ALDH1A1 118/4885PTGS2 1099/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 MAPT 4588/4885ALDH1A1 212/4885PTGS2 1549/4885

“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.