SCHEMBL16762097

SCHEMBL16762097

Cc1ccc(Oc2cnc(C=O)cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.62
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CHRNA7 P36544 1/20 0.37
▸ LIPE Q05469 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ NOTUM Q6P988 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
SCHEMBL16761774 0.83 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL24512782 0.83 L3MBTL1 (0.62) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL16762093 0.83 L3MBTL1 (0.47) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL30879457 0.79 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL16761981 0.78 HAO1 (0.43) KDM4EALDH1A1L3MBTL1ACACBLMNA
SCHEMBL16838888 0.77 MEN1 (0.55) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL3223757 0.77 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL15385017 0.74 MEN1 (0.52) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL11149465 0.73 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL9889560 0.73 KDM4E (0.82) KDM4EALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
CN-104507910-B Partially saturated nitrogen-containing heterocyclic compound 大正制药株式会社 2016-06-15 — — CN disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 — — EP disclosed
CN-104507910-A Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO LTD 2015-04-08 — — CN 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 (1 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 KDM4E 23/4885ALDH1A1 2293/4885MEN1 1627/4885

“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