SCHEMBL11935927

SCHEMBL11935927

Nc1ccc(CNc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.73
ALDH1A1 P00352 8/20 0.73
KDM4E B2RXH2 5/20 0.73
MEN1 O00255 3/20 0.73
USP2 O75604 3/20 0.73
KMT2A Q03164 3/20 0.73
MAPK1 P28482 3/20 0.73
CASP1 P29466 2/20 0.73
HBB P68871 2/20 0.73
LMNA P02545 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
THRB P10828 1/20 0.73
HPGD P15428 1/20 0.73
ALOX12 P18054 1/20 0.73
HTT P42858 1/20 0.73
CASP7 P55210 1/20 0.73
GAA P10253 6/20 0.68
HSD17B10 Q99714 3/20 0.68
PABPC1 P11940 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68

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
SCHEMBL11936083 0.91 GAA (0.68) MAPTALDH1A1KDM4EMEN1USP2
SCHEMBL2979012 0.91 MAPT (0.64) MAPTALDH1A1KDM4EMEN1USP2
Hydrochloric Acid SCHEMBL2989075 0.89 MAPT (0.63) MAPTALDH1A1KDM4EMEN1USP2
SCHEMBL10057818 0.87 INSR (0.77) MAPTALDH1A1KDM4EMEN1USP2
SCHEMBL13856703 0.84 ALDH1A1 (1.00) MAPTALDH1A1KDM4EMEN1USP2
SCHEMBL5327057 0.84 MAPT (0.72) MAPTALDH1A1KDM4EMEN1USP2
SCHEMBL6267258 0.82 MAPT (0.55) MAPTALDH1A1KDM4EMEN1USP2
SCHEMBL15960038 0.81 ALDH1A1 (1.00) MAPTALDH1A1KDM4EMEN1USP2
SCHEMBL11234801 0.81 INSR (0.57) MAPTALDH1A1KDM4EMEN1USP2
Hydrochloric Acid SCHEMBL6853541 0.81 MAPT (0.53) MAPTALDH1A1KDM4EMEN1USP2

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 3293/4885ALDH1A1 3842/4885KDM4E 1765/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4441/4885ALDH1A1 3735/4885KDM4E 1429/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAPT 3442/4885ALDH1A1 4013/4885KDM4E 2311/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4321/4885ALDH1A1 3361/4885KDM4E 1334/4885

“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.