SCHEMBL18057403

SCHEMBL18057403

CC(C)(O)c1cc2ccc(NCCn3ccnc3)nc2n2c1nc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ KDM4E B2RXH2 7/20 0.45
▸ GAA P10253 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ GLA P06280 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ CASP7 P55210 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ POLR1A O95602 1/20 0.35
▸ SOD1 P00441 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL23161883 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL20078411 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL17254925 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL18057402 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL18057397 0.81 KDM4E (0.42) ALDH1A1KDM4EGAAGLAPOLB
SCHEMBL18057405 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL18057401 0.79 POLR1A (0.38) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL18057399 0.77 KDM4E (0.38) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL18213599 0.72 KDM4E (0.43) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL18057406 0.72 ALDH1A1 (0.36) ALDH1A1KDM4EGAASMN1; SMN2NPC1

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 14 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
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 (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 ALDH1A1 3544/4885KDM4E 2839/4885GAA 1840/4885
US-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 ALDH1A1 3165/4885KDM4E 2323/4885GAA 1791/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 ALDH1A1 3544/4885KDM4E 2839/4885GAA 1840/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 ALDH1A1 3165/4885KDM4E 2323/4885GAA 1791/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 ALDH1A1 3544/4885KDM4E 2839/4885GAA 1840/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 ALDH1A1 3544/4885KDM4E 2839/4885GAA 1840/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 ALDH1A1 3165/4885KDM4E 2323/4885GAA 1791/4885

“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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