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Sugi Predict / Compounds / SCHEMBL2867535

SCHEMBL2867535

SCHEMBL2867535

COC(=O)[C@H](Cc1c(Br)[nH]c2c(Br)cc(OC)c(Br)c12)NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.41
▸ MTNR1B P49286 3/20 0.41
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ LNPEP Q9UIQ6 2/20 0.32
▸ ERAP2 Q6P179 1/20 0.32

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
SCHEMBL15242308 0.90 MTNR1A (0.37) MTNR1AMTNR1BHDAC1HDAC6TAS1R3
SCHEMBL2858297 0.80 MTNR1A (0.41) MTNR1AMTNR1BHDAC1HDAC6TAS1R3
SCHEMBL1308979 0.78 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL2858051 0.78 MTNR1A (0.62) MTNR1AMTNR1BHDAC1HDAC6KDM4E
SCHEMBL14219210 0.72 MTNR1A (0.52) MTNR1AMTNR1BHDAC1HDAC6KDM4E
SCHEMBL10477398 0.67 CYP3A4 (0.42) MTNR1AMTNR1BTAS1R3TAS1R1MEN1
SCHEMBL2674354 0.67 ALDH1A1 (0.49) MEN1KMT2AALDH1A1
SCHEMBL2674352 0.67 ALDH1A1 (0.49) MEN1KMT2AALDH1A1
SCHEMBL8410630 0.66 LDHA (0.57) MEN1KMT2AALDH1A1
SCHEMBL9305611 0.65 TACR1 (0.45) TAS1R3TAS1R1LNPEPERAP2

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
EP-1911744-B1 TRYPTOPHAN DERIVATIVE AND USE THEREOF SOMEI MASANORI (JP) 2013-09-04 — — EP disclosed
US-7659304-B2 Tryptophan derivative and application thereof SOMEI MASANORI 2010-02-09 — — US disclosed
US-7659304-B2 Tryptophan derivative and application thereof SOMEI MASANORI 2010-02-09 — — US disclosed
US-7659304-B2 Tryptophan derivative and application thereof SOMEI MASANORI 2010-02-09 — — US disclosed
US-20090054511-A1 Tryptophan derivative and application thereof SOMEI MASANORI 2009-02-26 — — US disclosed
US-20090054511-A1 Tryptophan derivative and application thereof SOMEI MASANORI 2009-02-26 — — US disclosed
US-20090054511-A1 Tryptophan derivative and application thereof SOMEI MASANORI 2009-02-26 — — US disclosed
EP-1911744-A1 TRYPTOPHAN DERIVATIVE AND USE THEREOF Somei, Masanori (JP) 2008-04-16 — — EP disclosed
EP-1911744-A1 TRYPTOPHAN DERIVATIVE AND USE THEREOF Somei, Masanori (JP) 2008-04-16 — — 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-20090054511-A1 Tryptophan derivative and application thereof TPH1, TPH2, AHR MTNR1A 42/4885MTNR1B 93/4885HDAC1 576/4885

“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.