SCHEMBL1240359

SCHEMBL1240359

CCCc1c(Br)c(=O)n(C)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.47
▸ KDM4E B2RXH2 9/20 0.47
▸ HPGD P15428 5/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ EGFR P00533 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ SLC2A1 P11166 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PGR P06401 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
SCHEMBL17673147 0.80 KDM4E (0.49) ALDH1A1KDM4EHPGDCYP1A2GLA
SCHEMBL1240376 0.76 KDM4E (0.49) ALDH1A1KDM4EHPGDGLACYP2C19
SCHEMBL30901263 0.76 KDM4E (0.49) ALDH1A1KDM4EHPGDGLACYP2C19
SCHEMBL10235160 0.74 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDCYP1A2GLA
SCHEMBL19538924 0.74 GPR3 (0.56) ALDH1A1KDM4EHPGDCYP1A2GLA
SCHEMBL21939787 0.73 KDM4E (0.55) ALDH1A1KDM4EHPGDGLACYP2C19
SCHEMBL30835552 0.73 KDM4E (0.55) ALDH1A1KDM4EHPGDGLACYP2C19
SCHEMBL19539157 0.73 KDM4E (0.60) ALDH1A1KDM4EHPGDCYP1A2GLA
SCHEMBL15876642 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGLASMN1; SMN2
SCHEMBL31018139 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGLASMN1; SMN2

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-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-7250516-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-07-31 — — US disclosed
US-20040235848-A1 For therapy of inflammatory diseases, rheumatoid arthritis, inflammatory bowel diseases, systemic erythematodes, multiple sclerosis, Sjogren's syndrome, asthma, psoriasis, allergy, diabetes, cardiovascular diseases, arterial sclerosis AJINOMOTO CO., INC. (JP) 2004-11-25 — — 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 (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-20040235848-A1 For therapy of inflammatory diseases, rheumatoid arthritis, inflammatory bowel diseases, systemic erythematodes, multiple sclerosis, Sjogren's syndrome, asthma, psoriasis, allergy, diabetes, cardiovascular diseases, arterial sclerosis VCAM1, ICAM1, CD40 ALDH1A1 1526/4885KDM4E 880/4885HPGD 3829/4885
US-20080280909-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 ALDH1A1 1238/4885KDM4E 268/4885HPGD 4136/4885

“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.

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