SCHEMBL2955022

SCHEMBL2955022

O=C(O)c1c(-n2nnnc2Cl)cccc1-n1nnnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
P2RX7 Q99572 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.35
HSD11B1 P28845 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NR4A1 P22736 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3287971 0.74 P2RX7 (0.55) P2RX7
SCHEMBL215500 0.69 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL2961527 0.66 LMNA (0.35) ALDH1A1P2RX7LMNAHTTL3MBTL1
SCHEMBL8499718 0.62 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL16655273 0.61 HCRTR1 (0.42) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL2211636 0.61 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHSD11B1HTT
SCHEMBL80183 0.60 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ATSHRCA12
SCHEMBL8351588 0.60 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL11217089 0.60 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAHSD11B1TSHR
SCHEMBL28345753 0.60 TLR9 (0.58) ALDH1A1HTTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759388-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2010-07-20 US disclosed
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO. INC (JP) 2009-02-19 US disclosed
US-7452905-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-11-18 US disclosed
EP-1323711-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2006-11-15 EP disclosed
US-20030220318-A1 New phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-11-27 US disclosed
EP-1323711-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-07-02 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 (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-20030220318-A1 New phenylalanine derivatives VCAM1, PAH, ICAM1 ALDH1A1 2197/4885P2RX7 2727/4885MEN1 2590/4885
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 ALDH1A1 1647/4885P2RX7 2135/4885MEN1 2870/4885

“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.