SCHEMBL16294004

SCHEMBL16294004

O=C(O)N(CCCCN(Cc1ccccc1)C1CC1)Cc1cc(CO)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.41
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4C Q9H3R0 2/20 0.38
▸ KDM5B Q9UGL1 2/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ YTHDC1 Q96MU7 1/20 0.37
▸ RAB9A P51151 1/20 0.34
▸ LNPEP Q9UIQ6 2/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL15994126 0.88 SSTR4 (0.38) ACKR3KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL16293699 0.86 ACKR3 (0.39) ACKR3KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL15994291 0.79 HDAC3 (0.37) ACKR3KMT2AL3MBTL1LNPEPCYP1A2
SCHEMBL16293240 0.78 SIGMAR1 (0.38) KMT2AALDH1A1L3MBTL1KDM4CKDM5B
SCHEMBL15994092 0.77 KDM5B (0.42) ACKR3KMT2AL3MBTL1KDM4CKDM5B
SCHEMBL15994119 0.76 KDM5B (0.39) ACKR3KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL15994096 0.76 HDAC3 (0.36) ACKR3KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL15994243 0.74 HDAC3 (0.35) ACKR3L3MBTL1KDM5BHDAC1
SCHEMBL16293107 0.74 HDAC3 (0.35) ACKR3KMT2AALDH1A1L3MBTL1KDM4C
SCHEMBL16293106 0.74 HDAC3 (0.35) ACKR3KMT2AALDH1A1L3MBTL1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US disclosed
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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 (2 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A ACKR3 4524/4885KMT2A 41/4885MEN1 3081/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A ACKR3 4524/4885KMT2A 41/4885MEN1 3081/4885

“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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