Sugi Predict

Sugi Predict / Compounds / SCHEMBL1707503

SCHEMBL1707503

SCHEMBL1707503

N#CCCCNCCCC#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GBA1 P04062 1/20 0.38
▸ CA12 O43570 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA4 P22748 3/20 0.35
▸ CA6 P23280 3/20 0.35
▸ CA5A P35218 3/20 0.35
▸ CA7 P43166 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA14 Q9ULX7 3/20 0.35
▸ CA5B Q9Y2D0 3/20 0.35
▸ CA3 P07451 2/20 0.35
▸ LOX P28300 1/20 0.35
▸ LOXL3 P58215 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33

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
SCHEMBL11140684 0.97 TSHR (0.43) TSHRALDH1A1TDP1GBA1CA12
SCHEMBL11139184 0.97 TSHR (0.43) TSHRALDH1A1TDP1GBA1CA12
SCHEMBL7940472 0.90 TSHR (0.43) TSHRALDH1A1TDP1GBA1CA12
SCHEMBL9752430 0.90 TSHR (0.43) TSHRALDH1A1TDP1GBA1CA12
SCHEMBL3457117 0.88 GBA1 (0.41) TSHRALDH1A1TDP1GBA1CA12
SCHEMBL13016325 0.88 GBA1 (0.41) TSHRALDH1A1TDP1GBA1CA12
SCHEMBL9394550 0.87 GBA1 (0.40) TSHRALDH1A1TDP1GBA1CA12
SCHEMBL6542362 0.87 TSHR (0.62) TSHRALDH1A1TDP1GBA1CYP2C19
SCHEMBL8007181 0.87 CA12 (0.57) TSHRALDH1A1TDP1CA12CA2
Ammonia Solution, Strong SCHEMBL10961064 0.85 GBA1 (0.40) TSHRALDH1A1TDP1GBA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 — — EP claimed
EP-2163553-B1 ARENE CONNECTED POLYAMINE MACRORING DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO LTD (CN) 2013-12-25 — — EP claimed
US-8420626-B2 Arene connected polyamine macrocyclic derivatives, preparation methods and pharmaceutical uses thereof BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2013-04-16 — — US claimed
US-20100179116-A1 Arene Connected Polyamine Macrocyclic Derivatives, Preparation Methods and Pharmaceutical Uses Thereof BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2010-07-15 — — US claimed
EP-2163553-A1 ARENE CONNECTED POLYAMINE MACRORING DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Beijing Molecule Science and Technology Co., Ltd. (CN) 2010-03-17 — — EP claimed
US-20250333375-A1 CYANOCARBON COMPOSITIONS ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2025-10-30 — — US disclosed
US-12215070-B2 Cyanocarbon compositions ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2025-02-04 — — US disclosed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 — — CN disclosed
EP-4061795-A1 COMPOSITIONS COMPRISING TRISCYANOHEXANE Ascend Performance Materials Operations LLC (US) 2022-09-28 — — EP disclosed
CN-114555554-A Composition comprising hexanetricarbonitrile 奥升德功能材料运营有限公司 2022-05-27 — — CN disclosed
WO-2021102286-A1 COMPOSITIONS COMPRISING TRISCYANOHEXANE ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2021-05-27 — — WO disclosed
US-20210155579-A1 CYANOCARBON COMPOSITIONS ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2021-05-27 — — US disclosed
EP-2163553-B1 ARENE CONNECTED POLYAMINE MACRORING DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO LTD (CN) 2013-12-25 — — EP disclosed
US-8420626-B2 Arene connected polyamine macrocyclic derivatives, preparation methods and pharmaceutical uses thereof BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2013-04-16 — — US disclosed
EP-1478696-B1 PROCESS FOR THE PREPARATION OF CATIONIC AZO COMPOUNDS BASF SE (DE) 2012-04-18 — — EP disclosed
US-20100179116-A1 Arene Connected Polyamine Macrocyclic Derivatives, Preparation Methods and Pharmaceutical Uses Thereof BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2010-07-15 — — US disclosed
EP-2163553-A1 ARENE CONNECTED POLYAMINE MACRORING DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Beijing Molecule Science and Technology Co., Ltd. (CN) 2010-03-17 — — EP disclosed
US-4421693-A INSECTICIDES, MITICIDES OR NEMATOCIDES OTSUKA CHEMICAL CO., LTD. (JP) 1983-12-20 — — US disclosed
US-4413005-A 2,3-DIHYDRO-2,2-DIMETHYLBENZOFURAN-7-YL DERIVATIVES OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1983-11-01 — — 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 (4 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-12215070-B2 Cyanocarbon compositions CYCS, CBR3, PCCA TSHR 4133/4885ALDH1A1 3668/4885TDP1 359/4885
US-20250333375-A1 CYANOCARBON COMPOSITIONS CYCS, CBR3, PCCA TSHR 4133/4885ALDH1A1 3668/4885TDP1 359/4885
US-20100179116-A1 Arene Connected Polyamine Macrocyclic Derivatives, Preparation Methods and Pharmaceutical Uses Thereof SRM, SP1, SMS TSHR 3711/4885ALDH1A1 1826/4885TDP1 1911/4885
US-20210155579-A1 CYANOCARBON COMPOSITIONS CYCS, CBR3, PCCA TSHR 4133/4885ALDH1A1 3668/4885TDP1 359/4885

“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.