SCHEMBL949678

SCHEMBL949678

ClN1c2ccccc2Oc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 13/20 0.54
ALOX5 P09917 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
AHR P35869 1/20 0.38
P2RX1 P51575 2/20 0.38
P2RX3 P56373 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL10586348 0.74 P2RX4 (0.48) P2RX4ALOX5MAOAMAOBP2RX1
SCHEMBL47007 0.74 KDM4E (0.55) P2RX4MAOAP2RX1MAPTSMN1; SMN2
SCHEMBL19175897 0.74 P2RX4 (0.48) P2RX4ALOX5MAOAMAOBP2RX1
SCHEMBL31191643 0.74 P2RX4 (0.48) P2RX4ALOX5MAOAMAOBAHR
SCHEMBL13150242 0.74 P2RX4 (0.48) P2RX4ALOX5MAOAMAOBP2RX1
SCHEMBL20308266 0.74 P2RX4 (0.48) P2RX4ALOX5MAOAMAOBP2RX1
SCHEMBL31067286 0.74 KDM4E (0.55) P2RX4MAOAP2RX1MAPTSMN1; SMN2
SCHEMBL3974908 0.74 P2RX4 (0.48) P2RX4ALOX5MAOAMAOBP2RX1
SCHEMBL1423685 0.72 P2RX4 (0.47) P2RX4ALOX5MAOAMAOBP2RX1
SCHEMBL6123819 0.72 P2RX4 (0.47) P2RX4ALOX5MAOAMAOBP2RX1

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-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
EP-2247597-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2010-11-10 EP disclosed
WO-2009100171-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 WO 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-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF NFKB2, NFKBIA, AP1G1 P2RX4 3591/4885ALOX5 799/4885MAOA 2890/4885

“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.