SCHEMBL5956868

SCHEMBL5956868

O=C(N[C@@H]1CCSc2cc(C(=O)O)ccc21)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
SIRT5 Q9NXA8 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL5956724 1.00 KMT2A (0.47) KMT2AMEN1ALDH1A1GAASIRT5
SCHEMBL5956733 1.00 KMT2A (0.47) KMT2AMEN1ALDH1A1GAASIRT5
Hydrochloric Acid SCHEMBL5956565 0.99 KMT2A (0.47) KMT2AMEN1ALDH1A1GAASIRT5
Hydrochloric Acid SCHEMBL5956571 0.99 KMT2A (0.47) KMT2AMEN1ALDH1A1GAASIRT5
SCHEMBL5956556 0.91 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1GAASIRT5
SCHEMBL5956576 0.90 KMT2A (0.55) KMT2AMEN1ALDH1A1GAASIRT5
SCHEMBL5956772 0.90 KMT2A (0.55) KMT2AMEN1ALDH1A1GAASIRT5
SCHEMBL5956478 0.90 KMT2A (0.55) KMT2AMEN1ALDH1A1GAASIRT5
SCHEMBL5956725 0.84 POLB (0.51) NPC1
SCHEMBL5956515 0.84 MEN1 (0.48) KMT2AMEN1ALDH1A1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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 (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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 KMT2A 1253/4885MEN1 2543/4885ALDH1A1 2624/4885

“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.