SCHEMBL1886915

SCHEMBL1886915

CCCCCCCCn1cc[n+](-c2c(C)cc(C)cc2C)c1.F[B-](F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ HTT P42858 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HSP90AA1 P07900 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ PLA2G1B P04054 1/20 0.47
▸ ATG4B Q9Y4P1 1/20 0.47
▸ PON1 P27169 1/20 0.39
▸ FDPS P14324 10/20 0.35
▸ GALR3 O60755 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ ATM Q13315 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1883550 1.00 NPC1 (0.47) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
SCHEMBL1881336 1.00 NPC1 (0.47) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
SCHEMBL1879949 1.00 NPC1 (0.47) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
SCHEMBL1882516 1.00 NPC1 (0.47) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
SCHEMBL1884056 0.99 MEN1 (0.44) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
SCHEMBL1886879 0.94 PON1 (0.43) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
SCHEMBL23698417 0.94 NPC1 (0.51) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
SCHEMBL23698569 0.94 NPC1 (0.51) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
SCHEMBL21834759 0.94 NPC1 (0.51) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
SCHEMBL21834756 0.94 NPC1 (0.51) NPC1RAB9AHTTSMN1; SMN2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254871-B1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS UNIV DRESDEN TECH (DE) 2016-11-09 — — EP disclosed
US-9260397-B2 Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2016-02-16 — — US disclosed
US-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2011-05-05 — — US disclosed
EP-2254871-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS Technische Universität Dresden (DE) 2010-12-01 — — EP disclosed
WO-2009095012-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF Technische Universität Dresden (DE) 2009-08-06 — — WO 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-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof RDX, HAX1, CHRM2 NPC1 1145/4885RAB9A 3824/4885HTT 1484/4885

“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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