SCHEMBL14725641

SCHEMBL14725641

c1ccc(-c2ncc(-c3cc4cc5c(cc(-c6cnc(-c7ccccc7)nc6)c6ccc7c8ccccc8sc7c65)cc4c4c3ccc3c5ccccc5sc34)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
HPGDS O60760 10/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
EGLN1 Q9GZT9 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR3 P46089 1/20 0.33
LIMK1 P53667 1/20 0.32

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
SCHEMBL14725750 0.90 NPC1 (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14725627 0.88 TNKS (0.42) RAB9ASMN1; SMN2TNKSTNKS2ALOX5
SCHEMBL15461831 0.84 TNKS (0.41) RAB9ASMN1; SMN2TNKSTNKS2ALOX5
SCHEMBL14725616 0.82 CYP11B1 (0.54) NPC1RAB9AALOX5LIMK1
SCHEMBL14882823 0.81 MEN1 (0.42) RAB9ASMN1; SMN2TNKSTNKS2ALOX5
SCHEMBL14882844 0.81 TNKS (0.37) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL14725749 0.80 RAB9A (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14725635 0.79 CYP11B1 (0.47) NPC1RAB9AALOX5LIMK1
SCHEMBL26472873 0.79 ALOX5 (0.39) NPC1RAB9ASMN1; SMN2TNKSTNKS2
SCHEMBL26475083 0.78 ALOX5 (0.38) RAB9ASMN1; SMN2NFKB1NFKB2RELA

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-9255084-B2 Heterocyclic compound and organic light-emitting device containing the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-09 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 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-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME TRPC1, TRPC4, TRPC6 NPC1 1953/4885RAB9A 1964/4885SMN1; SMN2 1873/4885

“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.