SCHEMBL256301

SCHEMBL256301

CCCOc1ccc(I)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ LTA4H P09960 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CSNK2A1 P68400 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL27987992 0.93 KDM4E (0.50) KDM4ELTA4HCA12CA1CA2
SCHEMBL13261015 0.82 KDM4E (0.64) KDM4ELTA4HCA12CA1CA2
SCHEMBL5672530 0.79 DRD2 (0.56) KDM4ELTA4HCA12CA1CA2
SCHEMBL3787950 0.79 CSNK2A1 (0.62) KDM4EMAPTCSNK2A1KMT2AALDH1A1
SCHEMBL175168 0.79 PTGS1 (0.45) KDM4ELTA4HCA12CA1CA2
SCHEMBL9502696 0.78 KDM4E (0.46) KDM4ELTA4HCA12CA1CA2
SCHEMBL17614043 0.78 KDM4E (0.50) KDM4ELTA4HCA12CA1CA2
SCHEMBL469903 0.78 MAPT (0.51) KDM4ELTA4HCA12CA1CA2
SCHEMBL12001039 0.78 MAPT (0.55) KDM4ELTA4HCA12CA1CA2
SCHEMBL3717444 0.78 LTA4H (0.50) KDM4ELTA4HCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997024-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 — — EP disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 — — EP disclosed
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 — — EP disclosed
US-9278954-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-08 — — US disclosed
US-9278954-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-08 — — US disclosed
WO-2014184104-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 — — WO disclosed
US-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 — — US disclosed
US-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 — — US disclosed
EP-2614054-B1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2014-11-19 — — EP disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 — — US disclosed
US-8530460-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 — — US disclosed
WO-2013092616-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 — — WO disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — US disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 — — WO disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — 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 (4 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-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof ACACB, PC, ACACA KDM4E 523/4885LTA4H 1948/4885CA12 2891/4885
US-20130158004-A1 Azetidine Derivatives GPR119, LIPE, LPL KDM4E 1022/4885LTA4H 443/4885CA12 4741/4885
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G KDM4E 4276/4885LTA4H 159/4885CA12 782/4885
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G KDM4E 4276/4885LTA4H 159/4885CA12 782/4885

“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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