SCHEMBL17254980

SCHEMBL17254980

O=C(O)c1cc2ccc(NCCN3CCOCC3)nc2n2c1nc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.49
▸ HPGD P15428 7/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ CASP1 P29466 5/20 0.49
▸ HSD17B10 Q99714 5/20 0.49
▸ GAA P10253 4/20 0.49
▸ GLA P06280 4/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HIF1A Q16665 3/20 0.47
▸ CASP7 P55210 4/20 0.47
▸ POLB P06746 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 4/20 0.44
▸ HTT P42858 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ ACP1 P24666 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL17255066 0.91 KDM4E (0.48) KDM4EHPGDALDH1A1CASP1HSD17B10
SCHEMBL19335990 0.90 KDM4E (0.49) KDM4EHPGDALDH1A1CASP1HSD17B10
SCHEMBL17254975 0.90 ALDH1A1 (0.49) KDM4EHPGDALDH1A1CASP1HSD17B10
SCHEMBL18042588 0.89 CNR1 (0.50) KDM4EHPGDALDH1A1CASP1HSD17B10
SCHEMBL30287930 0.88 ALDH1A1 (0.47) KDM4EHPGDALDH1A1CASP1HSD17B10
SCHEMBL17255068 0.88 ALDH1A1 (0.49) KDM4EHPGDALDH1A1CASP1HSD17B10
SCHEMBL18042598 0.88 ALDH1A1 (0.47) KDM4EHPGDALDH1A1CASP1HSD17B10
SCHEMBL23161048 0.85 KDM4E (0.43) KDM4EHPGDALDH1A1CASP1HSD17B10
SCHEMBL18057405 0.83 ALDH1A1 (0.51) KDM4EHPGDALDH1A1CASP1HSD17B10
SCHEMBL17254999 0.82 ALDH1A1 (0.59) KDM4EHPGDALDH1A1CASP1HSD17B10

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219716-B1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM PIMERA INC (US) 2024-12-25 — — EP disclosed
US-11623928-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2023-04-11 — — US disclosed
US-11618752-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2023-04-04 — — US disclosed
US-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-04-01 — — US disclosed
US-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-04-01 — — US disclosed
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2020-11-19 — — US disclosed
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2020-11-19 — — US disclosed
US-10745403-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-08-18 — — US disclosed
US-10745403-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-08-18 — — US disclosed
US-10590134-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-03-17 — — US disclosed
US-9512123-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2016-12-06 — — US disclosed
US-9512123-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2016-12-06 — — US disclosed
US-9512123-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2016-12-06 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — US disclosed
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2016-09-08 — — US disclosed
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2016-09-08 — — US disclosed
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2016-09-08 — — US disclosed
WO-2015172123-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM HADDACH MUSTAPHA (US) 2015-11-12 — — 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 (8 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-11618752-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885HPGD 273/4885ALDH1A1 3165/4885
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them BAX, CASP3, BCL2 KDM4E 2839/4885HPGD 426/4885ALDH1A1 3544/4885
US-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885HPGD 273/4885ALDH1A1 3165/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885HPGD 273/4885ALDH1A1 3165/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885HPGD 426/4885ALDH1A1 3544/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885HPGD 426/4885ALDH1A1 3544/4885
US-20210094952-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885HPGD 426/4885ALDH1A1 3544/4885
US-11623928-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885HPGD 273/4885ALDH1A1 3165/4885

“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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