SCHEMBL4808743

SCHEMBL4808743

CSc1ccc([N+](=O)[O-])c(C(=O)Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.55
TRPV1 Q8NER1 1/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 2/20 0.38
TSHR P16473 3/20 0.38
CTSD P07339 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
USP7 Q93009 1/20 0.38
PADI4 Q9UM07 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
NR2F2 P24468 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
PDE7A Q13946 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4820050 0.85 DTYMK (0.76) DTYMKTRPV1MCL1ALDH1A1KMT2A
SCHEMBL14076924 0.81 DTYMK (0.53) DTYMKTRPV1MCL1ALDH1A1KMT2A
SCHEMBL2514663 0.81 SIRT6 (0.53) DTYMKTRPV1MCL1ALDH1A1KMT2A
SCHEMBL28087961 0.79 DTYMK (0.54) DTYMKMCL1ALDH1A1KMT2AMEN1
SCHEMBL30440428 0.78 TSHR (0.58) DTYMKALDH1A1MAPTTSHRCYP3A4
SCHEMBL491747 0.78 TSHR (0.58) DTYMKALDH1A1MAPTTSHRCYP3A4
SCHEMBL9193556 0.78 DTYMK (0.46) DTYMKALDH1A1KMT2AMEN1MAPT
SCHEMBL23144771 0.76 GPR35 (0.56) DTYMKTRPV1MCL1ALDH1A1KMT2A
SCHEMBL9244559 0.76 ALDH1A1 (0.53) DTYMKALDH1A1TSHRCTSDMAPK1
SCHEMBL9539494 0.76 PDE7A (0.61) DTYMKTRPV1ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2803667-A1 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2014-11-19 EP disclosed
EP-2615087-A2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2013-07-17 EP disclosed
US-8309561-B2 N-(2,6-dichlorobenzoyl)-4-[1-methyl-7-(pyrrolidine-1-ylmethyl)-2,4-quinazoline-dione-3-yl]-L-phenylalanine trifluoroacetate; 4 integrin antagonist; antiinflammatory, anticarcinogenic agent, antiallergent; asthma, psoriasis, cardiovascular diseases, arterial sclerosis, restenosis, tumor proliferation AJINOMOTO CO., INC. (JP) 2012-11-13 US disclosed
US-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-05-08 US disclosed
US-7345049-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-03-18 US disclosed
EP-1700850-A1 NOVEL PHENYLALANINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-09-13 EP disclosed
US-20050222141-A1 Novel phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-10-06 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 (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-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV DTYMK 3716/4885TRPV1 2626/4885MCL1 1746/4885
US-20050222141-A1 Novel phenylalanine derivatives ITGB4, ITGA4, ITGAV DTYMK 3716/4885TRPV1 2626/4885MCL1 1746/4885

“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.