SCHEMBL6796841

SCHEMBL6796841

Nc1ccc(C(=O)c2ccc(N)nc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.62
GABRD O14764 2/20 0.62
GABRA1 P14867 2/20 0.62
GABRB1 P18505 2/20 0.62
GABRG2 P18507 2/20 0.62
GABRB3 P28472 2/20 0.62
GABRA5 P31644 2/20 0.62
GABRA3 P34903 2/20 0.62
GABRA2 P47869 2/20 0.62
GABRB2 P47870 2/20 0.62
GABRA4 P48169 2/20 0.62
GABRE P78334 2/20 0.62
GABRA6 Q16445 2/20 0.62
GABRG1 Q8N1C3 2/20 0.62
GABRG3 Q99928 2/20 0.62
GABRQ Q9UN88 2/20 0.62
NNMT P40261 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL16853374 0.92 GABRP (0.72) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7474312 0.86 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4464197 0.85 NPC1 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13177973 0.85 SMN1; SMN2 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL62657 0.80 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL9097535 0.80 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL204877 0.80 CA12 (0.59) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL8640288 0.78 CA12 (0.57) CA12CA1CA2CA9CA14
SCHEMBL42011 0.77 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
6-Aminonicotinamide SCHEMBL105510 0.77 NNMT (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794378-B2 ANTIINFLAMMATORY AGENTS AJINOMOTO CO., INC. (JP) 2004-09-21 US disclosed
CN-1372548-A Heterocyclic compound and medical use thereof AJINOMOTO KK (JP) 2002-10-02 CN disclosed
US-20020133005-A1 Heterocyclic compounds and medical use thereof AJINOMOTO CO., INC. (JP) 2002-09-19 US disclosed
EP-1193255-A1 HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF Ajinomoto Co., Inc. (JP) 2002-04-03 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-20020133005-A1 Heterocyclic compounds and medical use thereof NFKBIA, CHUK, RELA GABRP 3192/4885GABRD 2833/4885GABRA1 3565/4885

“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.