SCHEMBL3631457

SCHEMBL3631457

OCc1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 6/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
STAT3 P40763 2/20 0.55
LMNA P02545 2/20 0.55
FYN P06241 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 3/20 0.48
GALR3 O60755 1/20 0.47
GAA P10253 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
HTT P42858 1/20 0.45
ADORA2A P29274 1/20 0.44
SLC16A3 O15427 1/20 0.44
TP53 P04637 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
SCHEMBL2825520 0.85 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL2828428 0.83 HDAC3 (0.52) SMN1; SMN2MAPTLMNAFYNCYP1A2
SCHEMBL2827686 0.82 SLC16A3 (0.45) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL7996514 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL17853353 0.81 POLB (0.71) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL26980565 0.81 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL2825591 0.80 GRN (0.56) SMN1; SMN2MAPTCYP1A2CYP2C9MAPK1
SCHEMBL3628807 0.79 TP53 (0.45) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL9877851 0.79 SMN1; SMN2 (0.49) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL2225688 0.78 SLC16A3 (0.59) SMN1; SMN2LMNAPOLBGAASLC16A3

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-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 SMN1; SMN2 3036/4885MAPT 3293/4885MEN1 3372/4885

“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.