SCHEMBL16761774

SCHEMBL16761774

O=Cc1cnc(Oc2ccc(Br)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ ACACB O00763 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ DYRK3 O43781 1/20 0.32

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
SCHEMBL16762097 0.83 KDM4E (0.62) KDM4EALDH1A1L3MBTL1MAPTLMNA
SCHEMBL16762093 0.83 L3MBTL1 (0.47) KDM4EALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL24512782 0.83 L3MBTL1 (0.62) KDM4EALDH1A1L3MBTL1MMP13MEN1
SCHEMBL16761981 0.78 HAO1 (0.43) KDM4EALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL16761909 0.77 ALDH1A1 (0.71) KDM4EALDH1A1L3MBTL1MAPTMMP13
SCHEMBL16838919 0.75 RAB9A (0.45) KDM4EALDH1A1L3MBTL1MAPTTHRB
SCHEMBL580148 0.73 ALDH1A1 (0.62) KDM4EALDH1A1L3MBTL1MAPTMMP13
SCHEMBL14832858 0.69 TUBB4A (0.49) KDM4EALDH1A1MAPT
SCHEMBL29935892 0.69 TUBB4A (0.49) KDM4EALDH1A1MAPT
SCHEMBL1825784 0.68 KCNJ1 (0.48) ALDH1A1MAPT

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-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
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

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 2293/4885L3MBTL1 3915/4885

“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