SCHEMBL1893352

SCHEMBL1893352

C=CCN=C1CCc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ NPC1 O15118 4/20 0.43
▸ MAPK13 O15264 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 3/20 0.33
▸ AHR P35869 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HK1 P19367 1/20 0.33
▸ RECQL P46063 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
SCHEMBL9372759 0.72 NPC1 (0.52) ALDH1A1CYP1A2MAPK1NPC1MAPK13
SCHEMBL28118970 0.72 NPC1 (0.52) ALDH1A1CYP1A2MAPK1NPC1MAPK13
SCHEMBL407439 0.70 NPC1 (0.70) ALDH1A1MAPK1NPC1MAPK13MAPK12
SCHEMBL20042575 0.69 NPC1 (0.48) ALDH1A1CYP1A2MAPK1NPC1MAPK13
SCHEMBL8663746 0.68 NPC1 (0.43) ALDH1A1CYP1A2MAPK1NPC1MAPK13
SCHEMBL15894024 0.66 NPC1 (0.44) ALDH1A1CYP1A2MAPK1NPC1MAPK13
SCHEMBL134599 0.65 NPC1 (0.57) ALDH1A1MAPK1NPC1MAPK13MAPK12
SCHEMBL6469101 0.63 NPC1 (0.72) ALDH1A1MAPK1NPC1MAPK13MAPK12
Oxindole SCHEMBL28517700 0.62 AHR (0.70) MAPK1NPC1MAPK13MAPK12MAPK11
SCHEMBL4861947 0.62 MAPT (0.72) ALDH1A1CYP1A2MAPK1NPC1MAPK13

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
EP-2583678-A2 Small molecule immunopotentiators and assays for their detection Novartis Vaccines and Diagnostics, Inc. (US) 2013-04-24 — — EP disclosed
US-20110104186-A1 Small molecule immunopotentiators and assays for their detection NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2011-05-05 — — 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 (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-20110104186-A1 Small molecule immunopotentiators and assays for their detection ICOS, CD14, MAVS ALDH1A1 3637/4885CYP1A2 3249/4885MAPK1 2485/4885

“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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