SCHEMBL8533727

SCHEMBL8533727

N#CCCC(=O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.53
HDAC1 Q13547 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HSD11B1 P28845 1/20 0.46
HSP90AA1 P07900 1/20 0.46
KCNH2 Q12809 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44

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
Benzene SCHEMBL27628058 0.96 HSD11B1 (0.51) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL10353860 0.90 NPC1 (0.46) GSK3BKMT2AALDH1A1MAPTLMNA
SCHEMBL11659075 0.87 HDAC1 (0.58) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL7368111 0.82 NPC1 (0.61) HSP90AA1KCNH2ALDH1A1POLBGAA
SCHEMBL241664 0.81 GSK3B (0.70) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL10489592 0.81 NPC1 (0.57) GSK3BHSD11B1CES2CES1KMT2A
SCHEMBL11728908 0.81 KMT2A (0.58) GSK3BCES2CES1KMT2AALDH1A1
SCHEMBL26261148 0.81 GSK3B (0.61) GSK3BHSD11B1KMT2AALDH1A1MAPT
SCHEMBL9733687 0.81 HAO1 (0.43) GSK3BKMT2AALDH1A1MAPTLMNA
SCHEMBL1568921 0.80 GSK3B (0.57) GSK3BHDAC1HDAC8HDAC3HDAC4

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-2822931-B1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2 INC (US) 2017-05-03 EP disclosed
US-9505728-B2 Triazolone compounds and uses thereof INCEPTION 2, INC. (US) 2016-11-29 US disclosed
US-20150080412-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2015-03-19 US disclosed
EP-2822931-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF Inception 2, Inc. (US) 2015-01-14 EP disclosed
WO-2013134562-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2013-09-12 WO disclosed
CN-1216522-A Therapeutic agent for diabetes JAPAN TOBACCO INC (JP) 1999-05-12 CN disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed
US-4014889-A Process for preparing ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 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 (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-20150080412-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF PPARA, PPARG, PPARD GSK3B 1036/4885HDAC1 856/4885HDAC8 1835/4885

“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.