SCHEMBL19307125

SCHEMBL19307125

O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3cccnc3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.66
▸ ALDH1A1 P00352 10/20 0.66
▸ HSD17B10 Q99714 7/20 0.66
▸ HPGD P15428 7/20 0.66
▸ POLB P06746 5/20 0.66
▸ USP2 O75604 2/20 0.66
▸ ESR1 P03372 1/20 0.66
▸ NPSR1 Q6W5P4 2/20 0.65
▸ MAPT P10636 9/20 0.64
▸ TP53 P04637 2/20 0.64
▸ RAB9A P51151 6/20 0.64
▸ NPC1 O15118 5/20 0.64
▸ HPSE Q9Y251 1/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ PTK2B Q14289 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ TSHR P16473 2/20 0.61
▸ GLA P06280 1/20 0.60
▸ MEN1 O00255 1/20 0.58
▸ LMNA P02545 1/20 0.58

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
SCHEMBL2245200 1.00 KDM4E (0.66) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL2245197 1.00 KDM4E (0.66) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL29614766 1.00 KDM4E (0.66) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL2248018 0.91 HPSE (0.74) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL2248014 0.91 HPSE (0.74) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL30403180 0.89 MAPT (0.73) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL17544120 0.89 MAPT (0.73) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL17544119 0.89 MAPT (0.73) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL24449109 0.87 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL24449257 0.84 KDM4E (0.71) KDM4EALDH1A1HSD17B10HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 — — US disclosed
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 — — US disclosed
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2021-08-05 — — US disclosed
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2021-08-05 — — US disclosed
US-10988461-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2021-04-27 — — US disclosed
US-10988461-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2021-04-27 — — US disclosed
US-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2019-01-17 — — US disclosed
US-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2019-01-17 — — US disclosed
US-10125123-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2018-11-13 — — US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — 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 (6 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-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 KDM4E 3444/4885ALDH1A1 4022/4885HSD17B10 2034/4885
US-10125123-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 KDM4E 3437/4885ALDH1A1 3996/4885HSD17B10 2022/4885
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 KDM4E 3444/4885ALDH1A1 4022/4885HSD17B10 2034/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 KDM4E 3937/4885ALDH1A1 901/4885HSD17B10 929/4885
US-10988461-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 KDM4E 3437/4885ALDH1A1 3996/4885HSD17B10 2022/4885
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 KDM4E 3444/4885ALDH1A1 4022/4885HSD17B10 2034/4885

“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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