SCHEMBL4313700

SCHEMBL4313700

Nc1cnc2ccccc2c1NCCCCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
RAD52 P43351 3/20 0.57
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
MITF O75030 1/20 0.49
TTR P02766 1/20 0.49
GLA P06280 1/20 0.49
PDE5A O76074 1/20 0.48
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
TERT O14746 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL10728537 0.96 POLB (0.63) POLBRAD52KDM4EKMT2ALMNA
SCHEMBL6096807 0.91 HTR1A (0.51) POLBRAD52HRH3SLC2A1HTR1A
SCHEMBL6493232 0.90 KDM4E (0.61) POLBRAD52KDM4EKMT2ALMNA
Hydrochloric Acid SCHEMBL10728396 0.88 POLB (0.59) POLBRAD52KDM4EKMT2ALMNA
SCHEMBL6787115 0.87 HRH3 (0.45) POLBRAD52KMT2ARAB9AHRH3
SCHEMBL7218710 0.85 POLB (0.45) POLBRAD52KDM4EKMT2ALMNA
SCHEMBL10589295 0.84 S1PR2 (0.57) POLBRAD52KMT2ALMNASMN1; SMN2
SCHEMBL31197371 0.84 S1PR2 (0.57) POLBRAD52KMT2ALMNASMN1; SMN2
SCHEMBL9602243 0.84 S1PR2 (0.57) POLBRAD52KMT2ALMNASMN1; SMN2
SCHEMBL5118839 0.84 S1PR2 (0.49) POLBRAD52KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802853-B2 Arylalkenyl and arylalkynyl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-12 US disclosed
US-8735421-B2 Imidazoquinolinyl sulfonamides 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-05-27 US disclosed
US-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY 2009-03-05 US disclosed
US-20090030030-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2009-01-29 US disclosed
EP-1701955-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-09-20 EP disclosed
EP-1699788-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
WO-2005066170-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 WO disclosed
WO-2005066169-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL, AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 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 (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-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES IL2, EIF2AK2, IFNG POLB 2243/4885RAD52 2768/4885KDM4E 4260/4885
US-20090030030-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 POLB 2814/4885RAD52 684/4885KDM4E 3022/4885

“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.