SCHEMBL4401356

SCHEMBL4401356

CCCCc1ccc(-c2nn[c]o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
S1PR1 P21453 2/20 0.47
MAPT P10636 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD11B1 P28845 2/20 0.45
RARB P10826 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NISCH Q9Y2I1 1/20 0.41
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
SPHK2 Q9NRA0 2/20 0.39
SPHK1 Q9NYA1 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL20058689 0.76 RAB9A (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1S1PR1
SCHEMBL1824828 0.72 NOTUM (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1S1PR1
SCHEMBL8023035 0.72 HSD11B1 (0.62) RAB9ASMN1; SMN2NPC1ALDH1A1S1PR1
SCHEMBL13592787 0.72 HSD11B1 (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1S1PR1
SCHEMBL28829434 0.72 RARB (0.67) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL5551587 0.72 RARB (0.67) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL24653378 0.71 KDM4E (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1S1PR1
SCHEMBL1306351 0.71 HSD11B1 (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1S1PR1
SCHEMBL21698291 0.71 HSD11B1 (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1S1PR1
SCHEMBL12626894 0.71 SPHK2 (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1S1PR1

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-7632954-B2 Sym-N-(n-hexyl)-5-bromotriindole; Sym-N-(n-hexyl)-5-phenyltriindole; Sym-N-(n-hexyl)-[2-cyano-2-(4-pyridyl)vinyl]triindole; electrification preventions, electrification controls, capacitors, batteries, chemical sensors, displays, organic EL materials, solar cells, photodiodes, phototransistors; fibers IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-12-15 US disclosed
US-20070191455-A1 Substituted sym-triindole IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717239-A1 SUBSTITUTED SYM-TRIINDOLE Ihara Chemical Industry Co., Ltd. (JP) 2006-11-02 EP 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-20070191455-A1 Substituted sym-triindole RTF1, ETF1, RTF2 RAB9A 3148/4885SMN1; SMN2 4512/4885NPC1 4882/4885

“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.