SCHEMBL12197906

SCHEMBL12197906

c1ccc(C(=NCc2cc3c4ccccc4c(-c4ccc5ccccc5c4)cc3c3ccccc23)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
GPR84 Q9NQS5 1/20 0.37
GSTP1 P09211 1/20 0.36
S1PR5 Q9H228 8/20 0.36
S1PR4 O95977 6/20 0.36
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL12197934 0.81 CCR1 (0.37)
SCHEMBL3799524 0.75 GSTP1 (0.59) GPR84GSTP1HDAC4HDAC2HDAC8
SCHEMBL12197932 0.75 RAB9A (0.46)
SCHEMBL12225434 0.74 ALDH1A1 (0.39) GPR84GSTP1S1PR5S1PR4HDAC4
SCHEMBL12197878 0.74 CYP2C9 (0.34)
SCHEMBL12197864 0.74 ESR1 (0.44) HDAC8ESR1ESR2
SCHEMBL30389572 0.70 GRIN2B (0.53) GRIN1GRIN2BALOX5
SCHEMBL30762060 0.70 CTNNB1 (0.49)
SCHEMBL18541150 0.69 ESR1 (0.55) GPR84GSTP1HDAC4HDAC2HDAC8
SCHEMBL311695 0.68 GSTP1 (0.64) GPR84GSTP1HDAC4HDAC2HDAC8

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-8384074-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-02-26 US disclosed
US-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD (KR) 2011-10-06 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-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, IDO1, NOD1 GRIN1 206/4885GRIN2B 1747/4885GPR84 3671/4885

“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.