SCHEMBL18057401

SCHEMBL18057401

CC(C)(O)c1cc2ccc(NCCN3CC[C@H](F)C3)nc2n2c1nc1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLR1A O95602 3/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ CASP1 P29466 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ GAA P10253 4/20 0.38
▸ CASP7 P55210 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ TSHR P16473 2/20 0.37
▸ GLA P06280 2/20 0.37
▸ HIF1A Q16665 1/20 0.35
▸ USP7 Q93009 2/20 0.35
▸ HTR1A P08908 3/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ DRD3 P35462 2/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ ADRA1A P35348 1/20 0.32

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
SCHEMBL23160990 0.88 POLR1A (0.37) POLR1AKDM4EHPGDCASP1HSD17B10
SCHEMBL18057405 0.86 ALDH1A1 (0.51) KDM4EHPGDCASP1HSD17B10GAA
SCHEMBL20078409 0.86 POLR1A (0.37) POLR1AKDM4EHPGDCASP1HSD17B10
SCHEMBL18057397 0.80 KDM4E (0.42) KDM4ECASP1HSD17B10GAACASP7
SCHEMBL18057402 0.80 ALDH1A1 (0.36) KDM4EHPGDCASP1HSD17B10GAA
SCHEMBL18057403 0.79 ALDH1A1 (0.45) POLR1AKDM4EHPGDCASP1HSD17B10
SCHEMBL18057406 0.79 ALDH1A1 (0.36) KDM4EGAAALDH1A1
SCHEMBL18057399 0.76 KDM4E (0.38) KDM4EHPGDGAAALDH1A1GLA
SCHEMBL19992116 0.76 KDM4E (0.39) KDM4EHPGDCASP1HSD17B10GAA
SCHEMBL23161881 0.74 ALDH1A1 (0.49) KDM4EHPGDCASP1HSD17B10GAA

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 13 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-10590134-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-03-17 — — US disclosed
US-10442801-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2019-10-15 — — US disclosed
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2018-03-22 — — US 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 (7 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 POLR1A 1475/4885KDM4E 2839/4885HPGD 426/4885
US-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 POLR1A 1642/4885KDM4E 2323/4885HPGD 273/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 POLR1A 1475/4885KDM4E 2839/4885HPGD 426/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 POLR1A 1642/4885KDM4E 2323/4885HPGD 273/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 POLR1A 1475/4885KDM4E 2839/4885HPGD 426/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 POLR1A 1475/4885KDM4E 2839/4885HPGD 426/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 POLR1A 1642/4885KDM4E 2323/4885HPGD 273/4885

“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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