SCHEMBL214937

SCHEMBL214937

C[C@H](Nc1c([N+](=O)[O-])c(Cl)nc2ccccc12)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
HTT P42858 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
CCNE2 O96020 3/20 0.44
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
GAA P10253 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPK1 P28482 3/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL212396 1.00 MAPT (0.45) MAPTHTTALDH1A1LMNACCNE2
SCHEMBL4564941 1.00 MAPT (0.45) MAPTHTTALDH1A1LMNACCNE2
SCHEMBL24732887 0.85 CACNA2D1 (0.41) MAPTALDH1A1LMNAKMT2AGAA
SCHEMBL842415 0.81 KMT2A (0.47) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL8870696 0.80 EGFR (0.47) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL28560298 0.78 ALDH1A1 (0.45) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL213367 0.78 CCNE2 (0.49) MAPTHTTALDH1A1LMNACCNE2
SCHEMBL211908 0.78 CCNE2 (0.49) MAPTHTTALDH1A1LMNACCNE2
SCHEMBL14950224 0.78 EGFR (0.47) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL6106132 0.76 EGFR (0.43) MAPTHTTALDH1A1LMNAMEN1

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
EP-1948173-B1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2013-07-17 EP disclosed
US-8377957-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-19 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 US disclosed
US-8088790-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS PFIZER INC. 2009-09-03 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US 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 (3 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-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 MAPT 4616/4885HTT 1201/4885ALDH1A1 517/4885
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 MAPT 4419/4885HTT 3864/4885ALDH1A1 1223/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 MAPT 4616/4885HTT 1201/4885ALDH1A1 517/4885

“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.