SCHEMBL2406730

SCHEMBL2406730

CCOC(=O)c1cccc(NC(=O)CP(=O)(OCC)OCC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ TSHR P16473 1/20 0.65
▸ MAPT P10636 4/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ RAB9A P51151 7/20 0.59
▸ POLB P06746 2/20 0.59
▸ PKM P14618 1/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ MEN1 O00255 3/20 0.58
▸ SMN1; SMN2 Q16637 7/20 0.57
▸ NPC1 O15118 6/20 0.57
▸ LMNA P02545 2/20 0.57
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55

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
SCHEMBL10951354 0.84 TSHR (0.63) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL14266467 0.83 KMT2A (0.77) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL6689527 0.80 KMT2A (0.73) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL6408672 0.80 KMT2A (0.73) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL6407271 0.80 KMT2A (0.73) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL23932815 0.80 KMT2A (0.73) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL6699003 0.80 KMT2A (0.73) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL10952765 0.80 NPSR1 (0.53) ALDH1A1MAPTMAPK1HSD17B10RAB9A
SCHEMBL6323603 0.80 KMT2A (0.68) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL7148850 0.79 KMT2A (0.71) KMT2AALDH1A1TSHRMAPTMAPK1

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-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 — — US disclosed
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 — — US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 — — US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 — — US disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 — — 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-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RXRA, RXRG, RXRB KMT2A 2788/4885ALDH1A1 592/4885TSHR 173/4885

“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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