SCHEMBL19201009

SCHEMBL19201009

CC(=O)c1ncccc1-c1ncccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP2 O95551 2/20 0.40
BLM P54132 2/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PLCG1 P19174 1/20 0.40
CES1 P23141 1/20 0.40
PAX8 Q06710 1/20 0.40
RIN1 Q13671 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
S100A4 P26447 3/20 0.39
GABRG2 P18507 2/20 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
SCHEMBL1812108 0.82 ALDH1A1 (0.45) TDP1KDM4EBLMALDH1A1CYP3A4
SCHEMBL31278612 0.77 ALDH1A1 (0.44) TDP1KDM4ETDP2BLMNSD2
SCHEMBL17449213 0.77 ALDH1A1 (0.44) TDP1KDM4ETDP2BLMNSD2
SCHEMBL29601706 0.74 KDM4E (0.46) TDP1KDM4EBLMMEN1KMT2A
SCHEMBL6902624 0.74 KDM4E (0.46) TDP1KDM4EBLMMEN1KMT2A
SCHEMBL30578386 0.72 KDM4E (0.45) TDP1KDM4EBLMHCRTR1HCRTR2
SCHEMBL6174571 0.72 MAPT (0.55) TDP1KDM4EALDH1A1MAPT
SCHEMBL21374133 0.72 PRKCA (0.54) CYP3A4
SCHEMBL28480001 0.72 KDM4E (0.50) TDP1KDM4ETDP2BLMNSD2
SCHEMBL17506235 0.71 MAPT (0.43) TDP1KDM4EBLMTRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183953-B2 Substituted 2-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2019-01-22 US disclosed
US-20170204096-A1 Substituted 2-Azabicycles And Their Use As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-20 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 (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-10183953-B2 Substituted 2-azabicycles and their use as orexin receptor modulators HCRTR2, HCRTR1, NPY2R TDP1 4658/4885KDM4E 1236/4885TDP2 4520/4885
US-20170204096-A1 Substituted 2-Azabicycles And Their Use As Orexin Receptor Modulators HCRTR2, HCRTR1, NPY2R TDP1 4658/4885KDM4E 1236/4885TDP2 4520/4885

“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.