SCHEMBL948852

SCHEMBL948852

CCc1nc(C)[nH]c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3017016 0.79 ALDH1A1 (0.54) LMNANPC1RAB9AKMT2AHTT
SCHEMBL9283238 0.76 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9183258 0.74 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3023228 0.74 HSP90AA1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL213561 0.72 PIN1 (0.48) HCAR2ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL8077446 0.72 PARP1 (0.38) LMNAHSP90AA1ESR2TDP1KDM4E
SCHEMBL1762155 0.72 LMNA (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8652103 0.72 GAA (0.43) LMNAMEN1RAB9AKMT2AALDH1A1
SCHEMBL8543962 0.72 MAPT (0.39) ALDH1A1HSP90AA1ESR2TDP1POLB
SCHEMBL3023200 0.71 ALDH1A1 (0.38) HCAR2ALDH1A1HSP90AA1ESR2TDP1

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 GABRP 666/4885GABRD 717/4885GABRA1 898/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 GABRP 657/4885GABRD 970/4885GABRA1 1065/4885

“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.