SCHEMBL2108389

SCHEMBL2108389

O=c1c(I)coc2cc(O)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.61
▸ ALDH1A1 P00352 7/20 0.61
▸ HPGD P15428 6/20 0.61
▸ HSD17B10 Q99714 6/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ CYP3A4 P08684 4/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ TP53 P04637 2/20 0.61
▸ CYP2D6 P10635 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ MAOA P21397 2/20 0.61
▸ MAOB P27338 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ HDAC6 Q9UBN7 2/20 0.61
▸ TTR P02766 2/20 0.61
▸ CA12 O43570 1/20 0.61
▸ AKR1B10 O60218 1/20 0.61
▸ LMNA P02545 1/20 0.61

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
SCHEMBL11412845 0.81 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL28900624 0.79 CYP11B1 (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL17876375 0.79 MAPT (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL28477936 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL28470248 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1500129 0.79 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL16446088 0.78 ALOX12 (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL72610 0.76 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
Daidzein SCHEMBL21114371 0.76 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL21591575 0.76 MAOB (0.65) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 — — US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 — — US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 — — WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 — — US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 — — WO disclosed
CN-102898408-B Benzopyran compounds, preparation method and applications thereof SHANGHAI RUIGUANG BIOCHEMICAL SCIENCE AND TECHNOLOGY DEV CO LTD 2015-04-29 — — CN disclosed
CN-102898408-A Benzopyran compounds, preparation method and applications thereof SHANGHAI RUIGUANG BIOCHEMICAL SCIENCE AND TECHNOLOGY DEV CO LTD 2013-01-30 — — CN disclosed
US-8158810-B2 ALDH-2 inhibitors in the treatment of addiction GILEAD SCIENCES, INC. (US) 2012-04-17 — — US disclosed
US-8158810-B2 ALDH-2 inhibitors in the treatment of addiction GILEAD SCIENCES, INC. (US) 2012-04-17 — — US disclosed
US-8158810-B2 ALDH-2 inhibitors in the treatment of addiction GILEAD SCIENCES, INC. (US) 2012-04-17 — — US disclosed
WO-2009061924-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV THERAPEUTICS, INC. (US) 2009-05-14 — — WO disclosed
EP-2046769-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-04-15 — — EP disclosed
US-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-08-28 — — US disclosed
US-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-08-28 — — US disclosed
US-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-08-28 — — US disclosed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 — — US disclosed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 — — US disclosed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 — — US disclosed
WO-2008014497-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2008-01-31 — — WO disclosed
WO-2008014497-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2008-01-31 — — 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 (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-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 KDM4E 1615/4885ALDH1A1 1/4885HPGD 89/4885
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 KDM4E 2809/4885ALDH1A1 3133/4885HPGD 2582/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 KDM4E 2809/4885ALDH1A1 3133/4885HPGD 2582/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 KDM4E 2809/4885ALDH1A1 3133/4885HPGD 2582/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 KDM4E 1629/4885ALDH1A1 1/4885HPGD 101/4885

“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.

Send feedback