SCHEMBL16017454

SCHEMBL16017454

C=NC(Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1)C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIN1 Q13526 2/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
HIF1A Q16665 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL16019962 0.86 AAK1 (0.38) MAPTL3MBTL1KDM4EALDH1A1TDP1
SCHEMBL16017457 0.81 TP53 (0.38) MAPTL3MBTL1TSHRGABRA2GABRB2
SCHEMBL16017463 0.81 TP53 (0.38) MAPTL3MBTL1TSHRGABRA2GABRB2
SCHEMBL689021 0.76 LMNA (0.44) MAPTKDM4EALDH1A1TSHRMEN1
SCHEMBL1562700 0.74 MAPT (0.45) MAPTKDM4EALDH1A1TSHRGABRP
SCHEMBL8720494 0.74 GAA (0.39) MAPTL3MBTL1KDM4EALDH1A1TDP1
SCHEMBL16017455 0.72 NPSR1 (0.36) MAPTALDH1A1PIN1SIRT2
SCHEMBL23532128 0.71 CYP11B1 (0.36) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL27405017 0.71 POLB (0.36) MAPTL3MBTL1KDM4EALDH1A1HIF1A
SCHEMBL7969401 0.70 AKR1B1 (0.36) MAPTKDM4EALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256698-A1 CATHEPSIN INHIBITORS VIROBAY, INC. 2014-09-11 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 (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-20140256698-A1 CATHEPSIN INHIBITORS CTSF, CTSZ, CTSV MAPT 2426/4885L3MBTL1 1399/4885KDM4E 2762/4885

“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.