SCHEMBL3861964

SCHEMBL3861964

CCOCc1nc2cnc3cc(-c4ccccc4)ccc3c2n1CCCN1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.41
NLRP3 Q96P20 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
GLA P06280 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TSHR P16473 2/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL3870501 0.87 RCE1 (0.43) RCE1NLRP3SIRT2SIRT1ALDH1A1
SCHEMBL3865082 0.85 NLRP3 (0.54) NLRP3
SCHEMBL3870813 0.79 TSHR (0.47) KDM4EMEN1KMT2AHPGDTSHR
SCHEMBL4243714 0.78 SMN1; SMN2 (0.39) RCE1ALDH1A1KDM4EHSD17B10FGFR1
SCHEMBL3861459 0.77 NLRP3 (0.44) RCE1NLRP3ALDH1A1KDM4EHSD17B10
SCHEMBL4252232 0.76 SMN1; SMN2 (0.41) RCE1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL3861020 0.74 TLR7 (0.41) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2368715 0.74 PDE10A (0.36) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL3862390 0.74 ALDH1A1 (0.41) RCE1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL3863954 0.74 TLR7 (0.42)

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 RCE1 310/4885NLRP3 578/4885SIRT2 1430/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 RCE1 310/4885NLRP3 578/4885SIRT2 1430/4885

“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.