SCHEMBL4712055

SCHEMBL4712055

COC(=O)[C@@H](C(=O)OCc1ccccc1)N(C(=O)CN)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ EPOR P19235 2/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KYNU Q16719 1/20 0.38
▸ ABCB1 P08183 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
SCHEMBL11785414 0.80 LTA4H (0.38) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL7365185 0.79 CTRB1 (0.43) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL7344839 0.78 ALDH1A1 (0.51) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL6709681 0.76 KMT2A (0.46) ALDH1A1KMT2ALTA4HSMN1; SMN2
Hydrochloric Acid SCHEMBL5966870 0.75 KMT2A (0.45) ALDH1A1KMT2ALTA4HSMN1; SMN2
SCHEMBL28801006 0.73 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTHPGDTRPM8
SCHEMBL7345614 0.73 ALDH1A1 (0.46) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL9489304 0.72 ALDH1A1 (0.41) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL27696619 0.72 ALDH1A1 (0.51) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL28809664 0.72 PPARG (0.46) ALDH1A1KMT2AEPORLTA4HNPC1

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-1262477-B1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI SANKYO CO LTD (JP) 2008-09-03 — — EP disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 — — US disclosed
US-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-26 — — US disclosed
EP-1262477-A1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 — — 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-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient PGD, PPA1, FASTKD1 ALDH1A1 800/4885SLC6A2 4515/4885SLC6A3 4558/4885

“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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