SCHEMBL3865097

SCHEMBL3865097

O=[N+]([O-])c1cnc2cc(Cc3ccccc3)ccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
CTSB P07858 2/20 0.41
PIN1 Q13526 5/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
IDH1 O75874 1/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL3862318 0.90 CTSB (0.41) CTSBPIN1ALDH1A1CYP2D6CYP2C9
SCHEMBL3862476 0.85 PIN1 (0.45) EGFRPIN1ALDH1A1KMT2AKDM4E
SCHEMBL311213 0.81 MEN1 (0.48) PIN1CYP2C19HIF1AKMT2AMEN1
SCHEMBL3865236 0.80 CRHBP (0.53) CTSBPIN1ALDH1A1CRHBPCRHR2
SCHEMBL3867800 0.79 EGLN2 (0.39) EGFRALDH1A1MAPTEGLN2
SCHEMBL1033969 0.77 POLB (0.51) CTSBALDH1A1KMT2AKDM4EMEN1
SCHEMBL3863527 0.77 PIN1 (0.45) PIN1CYP2C19HIF1AKMT2AKDM4E
SCHEMBL2249257 0.75 TSHR (0.45) EGFRCTSBALDH1A1KMT2AKDM4E
SCHEMBL5766464 0.75 TDP1 (0.45) EGFRCTSBALDH1A1KMT2AKDM4E
SCHEMBL1490598 0.75 PTGES (0.49) EGFRCTSBALDH1A1CRHBPCRHR2

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 EGFR 3216/4885CTSB 1340/4885PIN1 1271/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 EGFR 3216/4885CTSB 1340/4885PIN1 1271/4885

“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.