SCHEMBL3862476

SCHEMBL3862476

O=[N+]([O-])c1cnc2cc(Cc3ccccc3)ccc2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 7/20 0.45
EGFR P00533 1/20 0.39
MAPT P10636 2/20 0.38
VCAM1 P19320 1/20 0.38
GSR P00390 1/20 0.36
TXNRD1 Q16881 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3863527 0.90 PIN1 (0.45) PIN1MAPTVCAM1GSRTXNRD1
SCHEMBL3865097 0.85 EGFR (0.41) PIN1EGFRMAPTMEN1KMT2A
SCHEMBL203766 0.81 PIN1 (0.53) PIN1MEN1KMT2A
SCHEMBL3865918 0.80 PIN1 (0.48) PIN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL2250758 0.78 TSHR (0.47) MAPTVCAM1ALDH1A1
SCHEMBL202663 0.77 POLB (0.51) PIN1MAPTMEN1KMT2AKDM4E
SCHEMBL29381779 0.77 POLB (0.51) PIN1MAPTMEN1KMT2AKDM4E
SCHEMBL3862318 0.77 CTSB (0.41) PIN1MAPTMEN1KMT2AKDM4E
SCHEMBL3867800 0.76 EGLN2 (0.39) EGFRMAPTALDH1A1
Hydrochloric Acid SCHEMBL3867195 0.76 POLB (0.50) PIN1MAPTMEN1KMT2AKDM4E

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 7 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
CN-1747953-A Aryl / hetaryl substituted imidazoquinolines. 3M INNOVATIVE PROPERTIES CO (US) 2006-03-15 CN 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 PIN1 1271/4885EGFR 3216/4885MAPT 4429/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 PIN1 1271/4885EGFR 3216/4885MAPT 4429/4885

“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.