SCHEMBL1892689

SCHEMBL1892689

Nc1ccc(C(=O)O)cc1N.O=C(O)c1ccc2nccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
GABRE P78334 1/20 0.51
GABRA6 Q16445 1/20 0.51
GABRG1 Q8N1C3 1/20 0.51
GABRG3 Q99928 1/20 0.51
GABRQ Q9UN88 1/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51

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
SCHEMBL193423 0.88 MAPT (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30390410 0.88 MAPT (0.59) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL548656 0.86 MAPT (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28612277 0.86 MAPT (0.57) GABRPGABRDGABRA1GABRB1GABRG2
Lithium Ion SCHEMBL31133341 0.86 MAPT (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4824967 0.82 CDC25B (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29351778 0.82 CDC25B (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL77186 0.82 CDC25B (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8648893 0.80 CDC25B (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2892151 0.80 CDC25B (0.59) 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-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 US 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-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 GABRP 490/4885GABRD 1076/4885GABRA1 906/4885

“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.