SCHEMBL3461693

SCHEMBL3461693

COC(=O)c1nn2cccc(N)c2c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 3/20 0.40
CFTR P13569 1/20 0.40
KDM4E B2RXH2 6/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
CYP1A2 P05177 2/20 0.38
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL3461691 0.92 HPGD (0.44) TP53HPGDALDH1A1MAPTCYP2C9
SCHEMBL3459022 0.82 MAPT (0.40) TP53HPGDALDH1A1MAPTCYP2C9
SCHEMBL4175500 0.76 ELANE (0.48) TP53ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL28528322 0.73 CA12 (0.49) TP53ALDH1A1MAPTGAAKDM4E
SCHEMBL3459020 0.73 ALDH1A1 (0.39) TP53HPGDALDH1A1MAPTCYP2C9
SCHEMBL1662696 0.70 ALDH1A1 (0.48) TP53HPGDALDH1A1MAPTCYP2C9
SCHEMBL29705860 0.69 HPGD (0.47) TP53HPGDALDH1A1MAPTGAA
SCHEMBL3694473 0.69 ALDH1A1 (0.46) TP53HPGDALDH1A1MAPTCYP2C9
SCHEMBL28801151 0.67 POLB (0.38) TP53HPGDMAPTCYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL30680968 0.67 ALDH1A1 (0.41) TP53HPGDALDH1A1MAPTGAA

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 TP53 3729/4885HPGD 1331/4885ALDH1A1 2338/4885
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 TP53 3620/4885HPGD 1277/4885ALDH1A1 2733/4885

“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.