SCHEMBL3872009

SCHEMBL3872009

O=[N+]([O-])c1cnc2cc(-c3ccccc3)ccc2c1NCCOc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.43
HTR6 P50406 1/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
CSF1R P07333 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PIN1 Q13526 1/20 0.39
BCL2L1 Q07817 1/20 0.39
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
APAF1 O14727 1/20 0.38

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
SCHEMBL6105094 0.87 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL1486492 0.85 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL3862148 0.81 HPGD (0.43) MAPTDRD2DRD3CSF1RKMT2A
SCHEMBL6763646 0.81 CSF1R (0.44) CSF1RGBA1
SCHEMBL3862429 0.80 MAPT (0.43) MAPTSMN1; SMN2DRD2DRD3CSF1R
SCHEMBL6301521 0.78 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL3861009 0.75 ADRB2 (0.44) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL3862164 0.75 CSF1R (0.41) CSF1RBCL2L1
SCHEMBL20476250 0.74 PTGES (0.41) MAPTNPC1RAB9ASMN1; SMN2PIN1
SCHEMBL6724381 0.74 LDHA (0.50) MAPTNPC1RAB9ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 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-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 MAPT 4429/4885NPC1 2335/4885RAB9A 2531/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 MAPT 4429/4885NPC1 2335/4885RAB9A 2531/4885

“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.