SCHEMBL17829362

SCHEMBL17829362

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c(-c6ccc(-c7cccc8cccnc78)cc6)cccc45)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
NFKB1 P19838 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MMP9 P14780 2/20 0.46
LMNA P02545 2/20 0.46
MMP2 P08253 2/20 0.46
GMNN O75496 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
MMP8 P22894 1/20 0.46
CCR1 P32246 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL17829381 0.98 MMP9 (0.44) TSHRKDM4ETP53MAPTNFKB1
SCHEMBL24315267 0.96 KDM4E (0.46) TSHRKDM4ETP53MAPTNFKB1
SCHEMBL21131637 0.96 CKS1B (0.42) TSHRKDM4ETP53MAPTNFKB1
SCHEMBL12580374 0.95 MMP2 (0.50) TSHRKDM4ETP53MAPTNFKB1
SCHEMBL12580425 0.95 MMP2 (0.50) TSHRKDM4ETP53MAPTNFKB1
SCHEMBL21131830 0.94 KDM4E (0.43) TSHRKDM4ETP53MAPTNFKB1
SCHEMBL12580439 0.94 KDM4E (0.46) TSHRKDM4ETP53MAPTNFKB1
SCHEMBL12580384 0.94 KDM4E (0.46) TSHRKDM4ETP53MAPTNFKB1
SCHEMBL12580382 0.94 MMP2 (0.48) TSHRKDM4ETP53MAPTNFKB1
SCHEMBL12580436 0.94 MMP2 (0.48) TSHRKDM4ETP53MAPTNFKB1

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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 TSHR 3997/4885KDM4E 1590/4885TP53 2330/4885

“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.