SCHEMBL2288440

SCHEMBL2288440

c1nc2c(c3n[nH]cc13)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 11/20 0.36
GABRA2 P47869 7/20 0.36
GABRG2 P18507 5/20 0.33
GABRB3 P28472 5/20 0.33
GABRA3 P34903 5/20 0.33
MAPT P10636 1/20 0.32
ACHE P22303 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL2285446 0.98 GABRA1 (0.35) GABRA1GABRA2GABRG2GABRB3GABRA3
SCHEMBL728744 0.71 GABRA1 (0.38) GABRA1GABRA2GABRG2GABRB3GABRA3
SCHEMBL1233444 0.66 ACHE (0.41) ACHE
SCHEMBL2921118 0.63 ACHE (0.46) GABRA1GABRG2GABRB3GABRA3ACHE
SCHEMBL29374271 0.63 ACHE (0.46) GABRA1GABRG2GABRB3GABRA3ACHE
SCHEMBL2186065 0.62 NOS3 (0.40) GABRA1GABRA2GABRG2GABRB3GABRA3
SCHEMBL26153071 0.60 NPC1 (0.40) GABRA1GABRA2GABRG2GABRB3GABRA3
SCHEMBL8088682 0.59 ACHE (0.46) GABRA1GABRG2GABRB3GABRA3ACHE
SCHEMBL1712344 0.59
Ammonia Solution, Strong SCHEMBL28312310 0.59 NPC1 (0.39) GABRA1GABRA2GABRG2GABRB3GABRA3

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-20110195950-A1 Organic Compounds NOVARTIS AG 2011-08-11 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-20110195950-A1 Organic Compounds NR3C2, NR4A1, NR4A2 GABRA1 1373/4885GABRA2 1152/4885GABRG2 1505/4885

“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.