Sugi Predict

Sugi Predict / Compounds / SCHEMBL3862318

SCHEMBL3862318

SCHEMBL3862318

O=[N+]([O-])c1cnc2ccc(Cc3ccccc3)cc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ PIN1 Q13526 3/20 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
▸ CRHBP P24387 1/20 0.39

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
SCHEMBL3865097 0.90 EGFR (0.41) CTSBALDH1A1MEN1KMT2AKDM4E
SCHEMBL3863527 0.85 PIN1 (0.45) MEN1KMT2AKDM4EMAPTPIN1
SCHEMBL2246090 0.83 TP53 (0.41) CTSBALDH1A1MEN1KMT2AKDM4E
SCHEMBL1486647 0.81 BACE1 (0.50) MEN1KMT2AMAPTLMNATDP1
SCHEMBL2248311 0.80 CRHBP (0.53) CTSBALDH1A1MEN1KMT2AKDM4E
SCHEMBL3861961 0.79 TNF (0.39) —
SCHEMBL1033969 0.77 POLB (0.51) CTSBALDH1A1MEN1KMT2AKDM4E
SCHEMBL3862476 0.77 PIN1 (0.45) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL358629 0.75 MAPT (0.45) CTSBALDH1A1MEN1KMT2AKDM4E
SCHEMBL2246946 0.75 TDP1 (0.45) CTSBALDH1A1MEN1KMT2AKDM4E

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 CTSB 1340/4885ALDH1A1 730/4885MEN1 4521/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 CTSB 1340/4885ALDH1A1 730/4885MEN1 4521/4885

“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.