SCHEMBL6698056

SCHEMBL6698056

Nc1[c]c(C(=O)O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.47
GABRD O14764 4/20 0.47
GABRA1 P14867 4/20 0.47
GABRB1 P18505 4/20 0.47
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA5 P31644 4/20 0.47
GABRA3 P34903 4/20 0.47
GABRA2 P47869 4/20 0.47
GABRB2 P47870 4/20 0.47
GABRA4 P48169 4/20 0.47
GABRE P78334 4/20 0.47
GABRA6 Q16445 4/20 0.47
GABRG1 Q8N1C3 4/20 0.47
GABRG3 Q99928 4/20 0.47
GABRQ Q9UN88 4/20 0.47
KDM4E B2RXH2 9/20 0.39
KDM3A Q9Y4C1 3/20 0.39
KDM5A P29375 2/20 0.39
JMJD1C Q15652 1/20 0.39

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
SCHEMBL8924569 0.77 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25382200 0.75 KDM4E (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8924560 0.67 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6634022 0.65 TSHR (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2779103 0.64 TSHR (0.48) KDM4ENAPRTALDH1A1TDP1ALOX15
SCHEMBL29001817 0.64
SCHEMBL1457909 0.64 KDM4E (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL220538 0.64 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30705741 0.64 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL22797869 0.62 GABRP (0.96) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-07-15 US claimed

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-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT GABRP 1000/4885GABRD 558/4885GABRA1 697/4885

“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.