SCHEMBL10299024

SCHEMBL10299024

c1ccc(-c2nnc(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 14/20 0.47
▸ RAB9A P51151 14/20 0.47
▸ SMN1; SMN2 Q16637 9/20 0.47
▸ TSHR P16473 4/20 0.47
▸ HPGD P15428 4/20 0.47
▸ TP53 P04637 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ MECP2 P51608 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL4651756 0.94 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL10299032 0.92 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL17614166 0.92 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL21312049 0.92 KDM4E (0.48) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL12680697 0.91 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL15371751 0.91 KDM4E (0.47) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL11998253 0.91 KDM4E (0.47) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL18119277 0.91 KDM4E (0.44) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL17125591 0.90 KDM4E (0.46) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL11998177 0.90 KDM4E (0.46) NPC1RAB9ASMN1; SMN2TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133177-B2 Ambipolar small molecule hosts for phosphorescent guest emitters GEORGIA TECH RESEARCH CORPORATION (US) 2015-09-15 — — US disclosed
US-20120172556-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION 2012-07-05 — — US disclosed
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-07-05 — — 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-20120172556-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS OCIAD1, OCIAD2, OXA1L NPC1 643/4885RAB9A 2633/4885SMN1; SMN2 4701/4885
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS OCIAD2, OCIAD1, ORC3 NPC1 816/4885RAB9A 1811/4885SMN1; SMN2 4781/4885

“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.

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