SCHEMBL5333510

SCHEMBL5333510

O=C1Nc2cc(Cl)ccc2C12OCCCO2

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 4/20 0.58
POLB P06746 3/20 0.58
MEN1 O00255 2/20 0.58
PDE7A Q13946 1/20 0.46
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CMA1 P23946 1/20 0.42
AHR P35869 1/20 0.42
ANPEP P15144 2/20 0.41
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
AKR1B1 P15121 1/20 0.40
IDO1 P14902 1/20 0.38
MAPT P10636 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
SCHEMBL5337809 0.88 GAA (0.62) GAAMAPK1KMT2APOLBMEN1
SCHEMBL17950512 0.81 GAA (0.62) GAAMAPK1KMT2APOLBMEN1
SCHEMBL29963500 0.77 GAA (1.00) GAAMAPK1KMT2APOLBMEN1
SCHEMBL2762197 0.77 GAA (1.00) GAAMAPK1KMT2APOLBMEN1
SCHEMBL3522216 0.76 PGR (0.63) GAAMAPK1KMT2APOLBMEN1
SCHEMBL16427672 0.74 KMT2A (0.54) GAAMAPK1KMT2APOLBMEN1
SCHEMBL30701438 0.72 PGR (0.58) PDE7APKMCMA1AHRTP53
SCHEMBL11641780 0.72 PGR (0.58) PDE7APKMCMA1AHRTP53
SCHEMBL30701457 0.72 PGR (0.58) PDE7APKMCMA1AHRTP53
SCHEMBL13196418 0.72 GAA (0.62) GAAMAPK1KMT2APOLBMEN1

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
US-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME WYETH (US) 2007-11-22 US disclosed
US-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME WYETH (US) 2007-11-22 US disclosed
US-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME WYETH (US) 2007-11-22 US disclosed
US-7256198-B2 Pyrimidoindolones and methods for using same WYETH (US) 2007-08-14 US disclosed
US-7256198-B2 Pyrimidoindolones and methods for using same WYETH (US) 2007-08-14 US disclosed
US-7256198-B2 Pyrimidoindolones and methods for using same WYETH (US) 2007-08-14 US disclosed
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke WYETH (US) 2005-11-10 US disclosed
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke WYETH (US) 2005-11-10 US disclosed
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke WYETH (US) 2005-11-10 US 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-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME TYMP, DPYD, TYMS GAA 788/4885MAPK1 3684/4885KMT2A 4635/4885
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke CASP1, API5, CASP8 GAA 566/4885MAPK1 1012/4885KMT2A 3697/4885

“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.