SCHEMBL3534328

SCHEMBL3534328

Cn1c(Br)cnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
TRPV1 Q8NER1 1/20 0.41
KIF11 P52732 3/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TDP2 O95551 1/20 0.38
THRB P10828 1/20 0.38
HSD11B1 P28845 1/20 0.38
COMT P21964 1/20 0.37

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
SCHEMBL8989237 0.83 KIF11 (0.47) TP53GAAMAPTPOLBKIF11
SCHEMBL27967380 0.81 MEN1 (0.44) TP53GAAPOLBKDM4EALDH1A1
SCHEMBL27216943 0.77 HPGDS (0.54) GAAMAPTKDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3537763 0.75 HPGDS (0.53) GAAMAPTKDM4EALDH1A1CYP1A2
SCHEMBL15167073 0.75 MEN1 (0.46) TP53GAAMAPTPOLBSIGMAR1
SCHEMBL18424781 0.75 ALOX5AP (0.37) TP53GAAMAPTPOLBKIF11
SCHEMBL12759486 0.74 TP53 (0.46) TP53GAAMAPTPOLBTRPV1
SCHEMBL15168293 0.72 SMN1; SMN2 (0.44) TP53GAAMAPTPOLBKDM4E
SCHEMBL19017507 0.70 DDR1 (0.41)
SCHEMBL14076998 0.70 HSD11B1 (0.49) KIF11KDM4ELMNAALDH1A1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858804-B2 Process for making cytokine inhibiting compounds containing 4- and 5-imidazolyl rings and the intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137815-A1 Process for Making Cytokine Inhibiting Compounds Containing 4- and 5-Imidazolyl Rings and the Intermediates Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
EP-2010522-A1 PROCESS FOR MAKING CYTOKINE INHIBITING COMPOUNDS CONTAINING 4- AND 5- IMIDAZOLYL RINGS AND THE INTERMEDIATES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-07 EP disclosed
WO-2007121390-A1 PROCESS FOR MAKING CYTOKINE INHIBITING COMPOUNDS CONTAINING 4- AND 5- IMIDAZOLYL RINGS AND THE INTERMEDIATES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 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 (1 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-20090137815-A1 Process for Making Cytokine Inhibiting Compounds Containing 4- and 5-Imidazolyl Rings and the Intermediates Thereof MIF, IL4, IL4I1 TP53 1345/4885GAA 2801/4885MAPT 4775/4885

“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.