SCHEMBL2900764

SCHEMBL2900764

CSc1ccc(CC(=O)O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.56
GABRD O14764 2/20 0.56
GABRA1 P14867 2/20 0.56
GABRB1 P18505 2/20 0.56
GABRG2 P18507 2/20 0.56
GABRB3 P28472 2/20 0.56
GABRA5 P31644 2/20 0.56
GABRA3 P34903 2/20 0.56
GABRA2 P47869 2/20 0.56
GABRB2 P47870 2/20 0.56
GABRA4 P48169 2/20 0.56
GABRE P78334 2/20 0.56
GABRA6 Q16445 2/20 0.56
GABRG1 Q8N1C3 2/20 0.56
GABRG3 Q99928 2/20 0.56
GABRQ Q9UN88 2/20 0.56
P4HTM Q9NXG6 1/20 0.56
NAPRT Q6XQN6 1/20 0.44
CA2 P00918 1/20 0.42
CAMK2A Q9UQM7 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
SCHEMBL19782159 0.83 P4HTM (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13341512 0.79 SMN1; SMN2 (0.45) ALDH1A1HSD17B10TSHRLMNASMN1; SMN2
SCHEMBL27794952 0.76 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL575044 0.76 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9908277 0.75 L3MBTL1 (0.43) SMN1; SMN2KDM4ECYP1A2
SCHEMBL19438349 0.74 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10KMT2ACYP1A2
Hydrochloric Acid SCHEMBL7020108 0.74 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24258311 0.73 LOXL2 (0.39)
SCHEMBL247901 0.73 KMT2A (0.36) LMNASMN1; SMN2KMT2A
SCHEMBL5740064 0.73 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 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-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 GABRP 3324/4885GABRD 3792/4885GABRA1 4075/4885

“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.