SCHEMBL18057405

SCHEMBL18057405

CC(C)(O)c1cc2ccc(NCCN3CCOCC3)nc2n2c1nc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ HSD17B10 Q99714 7/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ HPGD P15428 6/20 0.51
▸ CASP1 P29466 5/20 0.51
▸ TSHR P16473 5/20 0.51
▸ GAA P10253 4/20 0.51
▸ GLA P06280 3/20 0.51
▸ HIF1A Q16665 3/20 0.48
▸ CASP7 P55210 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP1A2 P05177 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ LCK P06239 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL23161881 0.88 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EHPGDCASP1
SCHEMBL18057401 0.86 POLR1A (0.38) ALDH1A1HSD17B10KDM4EHPGDCASP1
SCHEMBL20078408 0.86 KDM4E (0.49) ALDH1A1HSD17B10KDM4EHPGDCASP1
SCHEMBL19992116 0.84 KDM4E (0.39) ALDH1A1HSD17B10KDM4EHPGDCASP1
SCHEMBL17254980 0.83 KDM4E (0.49) ALDH1A1HSD17B10KDM4EHPGDCASP1
SCHEMBL19335990 0.82 KDM4E (0.49) ALDH1A1HSD17B10KDM4EHPGDCASP1
SCHEMBL17254975 0.82 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EHPGDCASP1
SCHEMBL17254999 0.81 ALDH1A1 (0.59) ALDH1A1HSD17B10KDM4EHPGDCASP1
SCHEMBL17255066 0.81 KDM4E (0.48) ALDH1A1HSD17B10KDM4EHPGDCASP1
SCHEMBL18057397 0.81 KDM4E (0.42) ALDH1A1HSD17B10KDM4ECASP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10442801-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2019-10-15 — — US disclosed
EP-3219716-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM Pimera, Inc. (US) 2017-09-20 — — EP disclosed
US-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — US disclosed
US-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20160326176-A1 Novel Compositions, Uses and Methods for Making Them BAX, CASP3, BCL2 ALDH1A1 3544/4885HSD17B10 1289/4885KDM4E 2839/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 ALDH1A1 3165/4885HSD17B10 1141/4885KDM4E 2323/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 ALDH1A1 3544/4885HSD17B10 1289/4885KDM4E 2839/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 ALDH1A1 3544/4885HSD17B10 1289/4885KDM4E 2839/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 ALDH1A1 3165/4885HSD17B10 1141/4885KDM4E 2323/4885

“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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