SCHEMBL2162146

SCHEMBL2162146

CCCCCCn1c(=O)[nH]c2cc(C(=O)NC(=N)N)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
KDM4E B2RXH2 7/20 0.50
HSD17B10 Q99714 5/20 0.50
GAA P10253 5/20 0.50
ALDH1A1 P00352 5/20 0.50
TP53 P04637 3/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 3/20 0.49
GLA P06280 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6532754 0.81 GAA (0.73) MAPTKDM4EHSD17B10GAAALDH1A1
Hydrochloric Acid SCHEMBL2162622 0.76 EPHX2 (0.58) MAPTHPGDPOLBMEN1LMNA
Hydrochloric Acid SCHEMBL8687310 0.76 STING1 (0.45) TP53KMT2A
SCHEMBL14906562 0.72 DAO (0.53) MAPTKDM4EHSD17B10GAAALDH1A1
Hydrochloric Acid SCHEMBL8689139 0.72 HPGD (0.53) MAPTHSD17B10TP53HPGDMEN1
SCHEMBL5320024 0.71 ALDH1A1 (0.58) MAPTKDM4EHSD17B10GAAALDH1A1
SCHEMBL2950499 0.71 ALDH1A1 (0.56) MAPTKDM4EHSD17B10GAAALDH1A1
SCHEMBL22861997 0.70 MAPT (0.41) MAPTKDM4EHSD17B10ALDH1A1TP53
SCHEMBL9807415 0.70 ALDH1A1 (0.51) MAPTKDM4EHSD17B10GAAALDH1A1
SCHEMBL5240605 0.70 RAB9A (0.46) MAPTKDM4EHSD17B10GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US claimed
EP-1988076-A1 AMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 EP claimed
US-7985764-B2 Amide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-26 US disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US disclosed
EP-1988076-A1 AMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 EP 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-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF HTR7, HTR2B, NPSR1 MAPT 4469/4885KDM4E 3397/4885HSD17B10 1227/4885

“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.