SCHEMBL3459022

SCHEMBL3459022

COC(=O)c1nn2cccc(CO)c2c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
F2 P00734 2/20 0.38
PLAU P00749 2/20 0.38
ELANE P08246 2/20 0.38
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
STAT3 P40763 1/20 0.36
HIF1A Q16665 1/20 0.36
TP53 P04637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL3459020 0.92 ALDH1A1 (0.39) MAPTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3461693 0.82 TP53 (0.43) MAPTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL29491521 0.80 SMN1; SMN2 (0.37) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL29241266 0.80 POLB (0.45) MAPTCYP2C9CYP2C19GAAMEN1
SCHEMBL24338568 0.78 SMN1; SMN2 (0.37) ALDH1A1NPSR1GAAKDM4EMEN1
SCHEMBL13851431 0.77 ALOX15 (0.36) MAPTALDH1A1CYP2C9CYP2C19GAA
SCHEMBL24338065 0.75 DUSP3 (0.36) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL4175500 0.74 ELANE (0.48) MAPTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3461691 0.73 HPGD (0.44) MAPTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL24338716 0.73 MTNR1A (0.38) POLB

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-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2014-02-06 US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US disclosed
EP-2592082-A1 Heteroaryl amide analogues as p2x7 antagonists H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 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 (2 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-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 MAPT 4232/4885ALDH1A1 2338/4885CYP2C9 780/4885
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 MAPT 4377/4885ALDH1A1 2733/4885CYP2C9 879/4885

“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.