SCHEMBL11935970

SCHEMBL11935970

Nc1ccc(CNc2ccc(F)c(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
PABPC1 P11940 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH3A1 P30838 1/20 0.43
HDAC4 P56524 1/20 0.43
MEF2D Q14814 1/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNQ4 P56696 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
PPARA Q07869 2/20 0.41
ARG1 P05089 1/20 0.41
ADRA2B P18089 1/20 0.41
GPR68 Q15743 1/20 0.40
NAMPT P43490 1/20 0.40
HTT P42858 1/20 0.39
VNN1 O95497 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
SCHEMBL11936119 0.85 MAPT (0.49) MAPTMEN1PABPC1KMT2AKCNQ3
SCHEMBL11936001 0.82 VNN1 (0.44) MAPTMEN1PABPC1KMT2AKCNQ3
SCHEMBL11936000 0.82 KIF11 (0.53) MAPTMEN1PABPC1KMT2AKCNQ3
SCHEMBL11513455 0.81 MEN1 (0.66) MAPTMEN1PABPC1KMT2AALDH3A1
SCHEMBL11935888 0.81 MAPT (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3422016 0.80 MEN1 (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL455536 0.80 MEN1 (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL5154356 0.80 MEN1 (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL11936055 0.79 LMNA (0.53) MAPTKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL15996872 0.79 LMNA (0.53) MAPTKCNQ3KCNQ2KCNQ4KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (4 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R MAPT 3293/4885MEN1 1550/4885PABPC1 4841/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4441/4885MEN1 2486/4885PABPC1 4817/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAPT 3442/4885MEN1 1233/4885PABPC1 4708/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4321/4885MEN1 2254/4885PABPC1 4814/4885

“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.