SCHEMBL20160867

SCHEMBL20160867

CC(S)c1ccc2c(c1)Oc1ccccc1N2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 9/20 0.37
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDK8 P49336 1/20 0.32
P2RX1 P51575 1/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL20152508 0.88 P2RX4 (0.39) P2RX4MAPTSMN1; SMN2NPSR1CDK8
SCHEMBL1102475 0.79 P2RX4 (0.39) P2RX4MAPTSMN1; SMN2NPSR1P2RX1
SCHEMBL1573992 0.78 P2RX4 (0.47) P2RX4NPSR1P2RX1
SCHEMBL29379993 0.78 P2RX4 (0.47) P2RX4NPSR1P2RX1
SCHEMBL29406608 0.78 P2RX4 (0.47) P2RX4NPSR1P2RX1
SCHEMBL13203012 0.77 P2RX4 (0.43) P2RX4MAPTSMN1; SMN2NPSR1CDK8
SCHEMBL15458030 0.77 MIF (0.36) SMN1; SMN2NPSR1
SCHEMBL13706095 0.77 MGLL (0.46) P2RX4P2RX1
SCHEMBL6123852 0.77 P2RX4 (0.39) P2RX4MAPTSMN1; SMN2NPSR1CDK8
SCHEMBL10331695 0.77 P2RX4 (0.39) P2RX4MAPTSMN1; SMN2NPSR1CDK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 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-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 P2RX4 1277/4885MAPT 530/4885SMN1; SMN2 3217/4885
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same CRY2, NR2E3, CRY1 P2RX4 1277/4885MAPT 530/4885SMN1; SMN2 3217/4885

“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.