SCHEMBL2086387

SCHEMBL2086387

CCCC([O])N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
RECQL P46063 1/20 0.32
CTSS P25774 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6539479 0.88 KCNH2 (0.39) TSHRALDH1A1LMNAKMT2AMAPT
SCHEMBL6539704 0.86 KCNH2 (0.39) TSHRALDH1A1LMNAKMT2AMAPT
SCHEMBL482849 0.82 ALDH1A1 (0.43) TSHRALDH1A1LMNAKMT2AMAPT
SCHEMBL6686417 0.79 SLC6A3 (0.42)
SCHEMBL9738640 0.77 KMT2A (0.39) TSHRALDH1A1LMNAKMT2AMAPT
SCHEMBL16919618 0.77 KMT2A (0.39) TSHRALDH1A1LMNAKMT2AMAPT
SCHEMBL6539305 0.77 SLC6A3 (0.41)
SCHEMBL4396753 0.76 SLC6A3 (0.32) TSHRALDH1A1NPSR1KCNH2USP2
SCHEMBL8737569 0.76 KMT2A (0.47) TSHRALDH1A1LMNAKMT2AMAPT
SCHEMBL232222 0.76 KMT2A (0.47) TSHRALDH1A1LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
WO-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 WO 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 TSHR 3610/4885ALDH1A1 4231/4885LMNA 1502/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 TSHR 3866/4885ALDH1A1 3235/4885LMNA 3537/4885

“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.