SCHEMBL2840465

SCHEMBL2840465

CN(Cc1cc(Nc2ccccc2)n(-c2ccccc2)n1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.53
HPGD P15428 3/20 0.53
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.51
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.45
RECQL P46063 1/20 0.45
KCNJ6 P48051 5/20 0.44
KCNJ5 P48544 5/20 0.44
KCNJ3 P48549 5/20 0.44
TSHR P16473 1/20 0.44
MAPK14 Q16539 6/20 0.43
MAPK13 O15264 5/20 0.43
MAPK12 P53778 5/20 0.43
MAPK11 Q15759 5/20 0.43
NTRK1 P04629 1/20 0.42

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
SCHEMBL2837803 0.85 HTR2C (0.52) GAAHPGDMAPK1GFERALDH1A1
SCHEMBL2839406 0.78 GAA (0.60) GAAHPGDMAPK1GFERALDH1A1
SCHEMBL2838656 0.76 ALDH1A1 (0.39) GAAMAPK1ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL2839560 0.75 GAA (0.60) GAAHPGDMAPK1GFERALDH1A1
SCHEMBL2838918 0.73 NPSR1 (0.37) GAAMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL2841874 0.72 GAA (0.49) GAAHPGDMAPK1GFERALDH1A1
SCHEMBL11535423 0.70 GAA (1.00) GAAHPGDMAPK1GFERALDH1A1
SCHEMBL2838354 0.70 KMT2A (0.60) GAAHPGDMAPK1GFERALDH1A1
SCHEMBL11512662 0.69 NTRK1 (0.50) GAAMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL16780330 0.69 ALDH1A1 (0.59) GAAALDH1A1LMNASMN1; SMN2HTT

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
EP-3162798-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP disclosed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 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-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R GAA 1513/4885HPGD 138/4885MAPK1 2435/4885

“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.