SCHEMBL3865918

SCHEMBL3865918

O=[N+]([O-])c1cnc2cc(-c3ccccc3)ccc2c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 7/20 0.48
MAPT P10636 3/20 0.46
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CSF1R P07333 1/20 0.41
PTGES O14684 1/20 0.40
CYP2C9 P11712 1/20 0.40
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALK Q9UM73 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL2244603 0.89 PIN1 (0.48) PIN1MAPTCRHBPCRHR2OPRK1
SCHEMBL3865236 0.83 CRHBP (0.53) PIN1MAPTCRHBPCRHR2CSF1R
SCHEMBL2250758 0.81 TSHR (0.47) MAPTALDH1A1
SCHEMBL202663 0.81 POLB (0.51) PIN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL29381779 0.81 POLB (0.51) PIN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL3862476 0.80 PIN1 (0.45) PIN1MAPTKMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3867195 0.79 POLB (0.50) PIN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL31197366 0.79 POLB (0.50) PIN1MAPTKMT2AALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL27736895 0.79 POLB (0.50) PIN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL16512770 0.78 PIN1 (0.48) PIN1MAPTKMT2AHPGDALDH1A1

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 1271/4885MAPT 4429/4885CRHBP 2263/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 PIN1 1271/4885MAPT 4429/4885CRHBP 2263/4885

“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.