SCHEMBL7019233

SCHEMBL7019233

Nc1cc(-c2ccccc2)c(C(=O)O)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.54
GABRD O14764 4/20 0.54
GABRA1 P14867 4/20 0.54
GABRB1 P18505 4/20 0.54
GABRG2 P18507 4/20 0.54
GABRB3 P28472 4/20 0.54
GABRA5 P31644 4/20 0.54
GABRA3 P34903 4/20 0.54
GABRA2 P47869 4/20 0.54
GABRB2 P47870 4/20 0.54
GABRA4 P48169 4/20 0.54
GABRE P78334 4/20 0.54
GABRA6 Q16445 4/20 0.54
GABRG1 Q8N1C3 4/20 0.54
GABRG3 Q99928 4/20 0.54
GABRQ Q9UN88 4/20 0.54
DDT P30046 1/20 0.51
LDHA P00338 1/20 0.49
MAP4K4 O95819 1/20 0.48
FGFR1 P11362 3/20 0.47

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
SCHEMBL686861 0.81 DDT (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29914342 0.81 DDT (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28109275 0.79 LDHA (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27541520 0.79 DDT (0.51) DDTLDHAMEN1ALDH1A1GAA
SCHEMBL451330 0.77 MAPT (0.55) MEN1ALDH1A1GAAHPGDKMT2A
SCHEMBL31377031 0.77 MAPT (0.55) MEN1ALDH1A1GAAHPGDKMT2A
SCHEMBL28675025 0.76 GAA (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7276328 0.76 DDT (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL6775126 0.75 MAPT (0.53) MEN1ALDH1A1GAAHPGDKMT2A
SCHEMBL667582 0.75 PTPN1 (0.59) ALDH1A1PTPN1HNF4AAKR1C3AKR1C2

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
US-5670525-A Substituted 4-phenyl-6-amino-nicotinic acid compounds useful in the treatment of CNS disorders BAYER AKTIENGESELLSCHAFT (DE) 1997-09-23 US claimed
CN-1127114-A Use of substituted 4-phenyl-6-amino-nicotinic acid derivatives as medicaments BAYER AG (DE) 1996-07-24 CN claimed
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US disclosed
CN-1441783-A Drug containing dicyanopyridine derivative YAMANOUCHI PHARMA CO LTD (JP) 2003-09-10 CN disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP disclosed
US-5670525-A Substituted 4-phenyl-6-amino-nicotinic acid compounds useful in the treatment of CNS disorders BAYER AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed
US-5670525-A Substituted 4-phenyl-6-amino-nicotinic acid compounds useful in the treatment of CNS disorders BAYER AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed
US-5670525-A Substituted 4-phenyl-6-amino-nicotinic acid compounds useful in the treatment of CNS disorders BAYER AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed
CN-1127114-A Use of substituted 4-phenyl-6-amino-nicotinic acid derivatives as medicaments BAYER AG (DE) 1996-07-24 CN disclosed
CN-1127114-A Use of substituted 4-phenyl-6-amino-nicotinic acid derivatives as medicaments BAYER AG (DE) 1996-07-24 CN disclosed
CN-1127114-A Use of substituted 4-phenyl-6-amino-nicotinic acid derivatives as medicaments BAYER AG (DE) 1996-07-24 CN 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-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 GABRP 879/4885GABRD 538/4885GABRA1 1045/4885

“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.