SCHEMBL2320795

SCHEMBL2320795

Ic1ccccc1NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.59
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 1/20 0.53
BACE1 P56817 1/20 0.50
IDO1 P14902 3/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
THRB P10828 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADRA2C P18825 1/20 0.43
FABP1 P07148 1/20 0.42
FABP6 P51161 1/20 0.42

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
SCHEMBL1949383 0.84 MAPT (0.55) HSD17B10KDM4EHPGDALDH1A1MEN1
SCHEMBL30464743 0.84 HSD17B10 (0.71) HSD17B10KDM4EHPGDTSHRBACE1
SCHEMBL4571036 0.84 HSD17B10 (0.71) HSD17B10KDM4EHPGDTSHRBACE1
SCHEMBL8557281 0.79 L3MBTL1 (0.53) HSD17B10KDM4EHPGDTSHRIDO1
SCHEMBL692954 0.77 HSD17B10 (0.45) HSD17B10KDM4EHPGDTSHRBACE1
SCHEMBL4571038 0.77 HSD17B10 (0.63) HSD17B10KDM4EHPGDTSHRBACE1
SCHEMBL6541555 0.76 IDO1 (0.69) HSD17B10KDM4EHPGDTSHRBACE1
SCHEMBL31006473 0.76 IDO1 (0.69) HSD17B10KDM4EHPGDTSHRBACE1
SCHEMBL22116870 0.75 KDM4E (0.49) KDM4EMAPTL3MBTL1
SCHEMBL8239030 0.74 HSD17B10 (0.59) HSD17B10KDM4EHPGDTSHRBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105775-A Preparation method of substituted iodobenzene with terminal double bond 武汉工程大学 2022-03-01 CN claimed
CN-117229228-A Synthesis method of 2-thiobenzothiazole compound 中国人民解放军军事科学院防化研究院 2023-12-15 CN disclosed
CN-114105775-A Preparation method of substituted iodobenzene with terminal double bond 武汉工程大学 2022-03-01 CN disclosed
US-10167292-B2 Benzodiazepines as bromodomain inhibitors Catalyst Therapeutics Pty Ltd. (AU) 2019-01-01 US disclosed
US-10167292-B2 Benzodiazepines as bromodomain inhibitors Catalyst Therapeutics Pty Ltd. (AU) 2019-01-01 US disclosed
US-20180273840-A1 SPIRALLY CONFIGURED CIS-STILBENE/FLUORENE HYBRID MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME CLIPHOR TECHNOLOGY CO., LTD. (TW) 2018-09-27 US disclosed
CN-108463462-A Benzene phenodiazine * classes are as bromine structural domain inhibitor 催化剂治疗私人有限公司 2018-08-28 CN disclosed
EP-3331887-A1 BENZODIAZEPINES AS BROMODOMAIN INHIBITORS Catalyst Therapeutics Pty Ltd. (AU) 2018-06-13 EP disclosed
WO-2017020086-A1 BENZODIAZEPINES AS BROMODOMAIN INHIBITORS CATALYST THERAPEUTICS PTY LTD (AU) 2017-02-09 WO disclosed
WO-2017020086-A1 BENZODIAZEPINES AS BROMODOMAIN INHIBITORS CATALYST THERAPEUTICS PTY LTD (AU) 2017-02-09 WO disclosed
US-8791301-B2 Method of preparing secondary amine compound using microflow reactor UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNGHEE UNIVERSITY (KR) 2014-07-29 US disclosed
US-20130137900-A1 NOVEL METHOD OF PREPARING SECONDARY AMINE COMPOUND USING MICROFLOW REACTOR UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNGHEE UNIVERSITY (KR) 2013-05-30 US disclosed
WO-2011096729-A2 NOVEL METHOD OF PREPARING SECONDARY AMINE COMPOUND USING MICROFLOW REACTOR UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNGHEE UNIVERSITY (KR) 2011-08-11 WO disclosed
US-4360511-A Amines useful as brain imaging agents MEDI-PHYSICS, INC. (US) 1982-11-23 US disclosed
EP-0011858-A1 Radioiodine containing amines, their preparation and their use as brain imaging agents F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-06-11 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 (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-20130137900-A1 NOVEL METHOD OF PREPARING SECONDARY AMINE COMPOUND USING MICROFLOW REACTOR SRM, MAOB, HNMT HSD17B10 2147/4885KDM4E 1707/4885HPGD 2037/4885
US-10167292-B2 Benzodiazepines as bromodomain inhibitors BRD1, BRD3, BRD2 HSD17B10 759/4885KDM4E 1294/4885HPGD 385/4885

“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.