SCHEMBL1240163

SCHEMBL1240163

COc1c(I)c(=O)n(C)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 7/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
PABPC1 P11940 1/20 0.46
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM1A O60341 1/20 0.45
GPR3 P46089 1/20 0.44
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6578988 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL15920627 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL15876642 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL31018139 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL24312069 0.78 KDM4E (0.70) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL16979650 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL8358472 0.78 HTT (0.52) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL22035467 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL22017130 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL26013820 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EGAASMN1; SMN2PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884204-B2 such as (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)phenyl]propionic acid, used for the teratment of inflammatory diseases, arthritis, inflammatory bowel diseases, lupus, multiple syndrome, asthma, psoriasis, allergies, diabetes and cardiovascular diseases AJINOMOTO CO., INC. (JP) 2011-02-08 US disclosed
US-7884204-B2 such as (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)phenyl]propionic acid, used for the teratment of inflammatory diseases, arthritis, inflammatory bowel diseases, lupus, multiple syndrome, asthma, psoriasis, allergies, diabetes and cardiovascular diseases AJINOMOTO CO., INC. (JP) 2011-02-08 US disclosed
US-7884204-B2 such as (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)phenyl]propionic acid, used for the teratment of inflammatory diseases, arthritis, inflammatory bowel diseases, lupus, multiple syndrome, asthma, psoriasis, allergies, diabetes and cardiovascular diseases AJINOMOTO CO., INC. (JP) 2011-02-08 US disclosed
US-20080280909-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-11-13 US disclosed
US-20080280909-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-11-13 US disclosed
US-20080280909-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-11-13 US disclosed
US-7250516-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-07-31 US disclosed
US-7250516-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-07-31 US disclosed
EP-1454898-A1 NOVEL PHENYLALANINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-09-08 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-20080280909-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 ALDH1A1 1238/4885KDM4E 268/4885GAA 3863/4885

“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.