SCHEMBL3600320

SCHEMBL3600320

O=C(NNc1ccccc1)[C@H]1C[C@H]1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 1/20 0.49
P2RX7 Q99572 1/20 0.49
ALOX5 P09917 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGS2 P35354 2/20 0.47
KDM4E B2RXH2 2/20 0.43
F2 P00734 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3605433 1.00 GAA (0.71) GAASMN1; SMN2PARP1PARP10ALDH1A1
SCHEMBL19204354 0.83 SMN1; SMN2 (1.00) GAASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL19204353 0.83 GAA (0.67) GAASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL21160883 0.83 GAA (0.67) GAASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL21160881 0.83 SMN1; SMN2 (1.00) GAASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL22017807 0.81 GAA (0.65) GAASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL19204432 0.81 GAA (0.65) GAASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL19204430 0.81 GAA (0.65) GAASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL19204433 0.81 GAA (0.65) GAASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL21160882 0.77 GAA (0.58) GAASMN1; SMN2ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117098759-A Heterocyclic compounds and their use 组合化学工业株式会社 2023-11-21 CN disclosed
US-8299102-B2 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals SANOFI (FR) 2012-10-30 US disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2121612-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-11-25 EP disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
WO-2008080511-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-07-10 WO disclosed
EP-1942104-A1 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals sanofi-aventis (FR) 2008-07-09 EP disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 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 (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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK GAA 883/4885SMN1; SMN2 4432/4885PARP1 2696/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 GAA 56/4885SMN1; SMN2 4329/4885PARP1 2969/4885
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS PTGIS, TBXAS1, EDNRA GAA 3377/4885SMN1; SMN2 4755/4885PARP1 2254/4885

“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.