SCHEMBL361106

SCHEMBL361106

O=C(O)c1ncc(Br)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
HCAR2 Q8TDS4 4/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.35
P4HA1 P13674 2/20 0.34
P4HTM Q9NXG6 2/20 0.34
NAPRT Q6XQN6 2/20 0.34
PTGFR P43088 1/20 0.34
DYRK1B Q9Y463 1/20 0.33
MIF P14174 1/20 0.33
PKM P14618 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
Dimethyl Sulfoxide SCHEMBL28215050 0.87 KDM4E (0.42) KDM4EALDH1A1HCAR2POLBSMN1; SMN2
SCHEMBL1403879 0.77 ALDH1A1 (0.40) KDM4EALDH1A1HCAR2POLBTSHR
SCHEMBL1708233 0.77 ALDH1A1 (0.40) KDM4EALDH1A1HCAR2POLBSMN1; SMN2
SCHEMBL1855352 0.77 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL24787182 0.76 CA12 (0.36) KDM4EALDH1A1HCAR2POLBP4HA1
SCHEMBL3705899 0.76 ALDH1A1 (0.54) KDM4EALDH1A1HCAR2POLBTSHR
Methane SCHEMBL26985795 0.75 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL31153429 0.74 ALDH1A1 (0.39) KDM4EALDH1A1HCAR2POLBSMN1; SMN2
SCHEMBL3695695 0.74 GABRP (0.41) KDM4EALDH1A1HCAR2POLBTSHR
SCHEMBL20929049 0.74 HCAR2 (0.34) KDM4EALDH1A1HCAR2P4HA1P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702506-B 11-carbonyl-20-ethoxy source oridonin and 14-OH esterified serial derivatives and application thereof 郑州大学 2023-08-22 CN claimed
CN-114702506-A 11-carbonyl-20-ethoxy economic oridonin and 14-OH esterified series derivatives and application thereof 郑州大学 2022-07-05 CN claimed
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP claimed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US claimed
CN-102471293-B Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG (CH) 2014-10-01 CN claimed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US claimed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP claimed
CN-102666507-A Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2012-09-12 CN claimed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP claimed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP claimed
CN-102471293-A Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG 2012-05-23 CN claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO claimed
US-12637426-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2026-05-26 US disclosed
US-20260078113-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORP (US) 2026-03-19 US disclosed
EP-4695271-A2 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA Merck Sharp & Dohme LLC (US) 2026-02-18 EP disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
US-20020147204-A1 Amide derivative SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2002-10-10 US disclosed
US-6384033-B1 DRUGS FOR VISION DEFECTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-05-07 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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 (6 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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP KDM4E 3316/4885ALDH1A1 2685/4885HCAR2 1261/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 KDM4E 3346/4885ALDH1A1 1316/4885HCAR2 1611/4885
US-12637426-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP1, USP10 KDM4E 627/4885ALDH1A1 1185/4885HCAR2 4035/4885
US-20260078113-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS MSR1, NR3C1, CCR1 KDM4E 4270/4885ALDH1A1 868/4885HCAR2 87/4885
US-20020147204-A1 Amide derivative ALDH1A2, NR1H2, HDAC3 KDM4E 1808/4885ALDH1A1 202/4885HCAR2 57/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C KDM4E 3548/4885ALDH1A1 508/4885HCAR2 640/4885

“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.