SCHEMBL1554844

SCHEMBL1554844

Cc1ccc(Nc2nccc(C3CC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ FPR1 P21462 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ SYK P43405 5/20 0.50
▸ KCNH2 Q12809 2/20 0.50
▸ SCN5A Q14524 2/20 0.50
▸ SCN9A Q15858 2/20 0.50
▸ KDR P35968 3/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCNB3 Q8WWL7 1/20 0.47

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
SCHEMBL14871556 0.84 CDK2 (0.57) RAB9ANPC1MAPTSYKKCNH2
SCHEMBL16750005 0.80 SYK (0.55) SYKKDRCDK2BRD4BRD2
SCHEMBL16820278 0.80 SYK (0.55) SYKKDRCDK2BRD4BRD2
SCHEMBL17026394 0.77 SYK (0.53) SYKKDRCDK2BRD4BRD2
SCHEMBL28071774 0.77 RAB9A (0.57) RAB9ANPC1ALDH1A1MAPTSYK
SCHEMBL24042813 0.76 SYK (0.40) SYK
SCHEMBL10225814 0.76 SCN9A (0.58) RAB9ANPC1ALDH1A1TP53MAPT
SCHEMBL28805102 0.73 SCN9A (0.55) RAB9ANPC1ALDH1A1MAPTSYK
SCHEMBL2036402 0.73 SYK (0.48) SYKKDRCDK2BRD4BRD2
SCHEMBL22256859 0.73 SYK (0.37) SYKKCNH2SCN5ASCN9AKDR

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
US-10694743-B2 Agricultural compositions with reduced aquatic toxicity STEPAN COMPANY (US) 2020-06-30 — — US disclosed
EP-3164004-B1 AGRICULTURAL COMPOSITIONS WITH REDUCED AQUATIC TOXICITY STEPAN CO (US) 2019-09-18 — — EP disclosed
US-20170142963-A1 AGRICULTURAL COMPOSITIONS WITH REDUCED AQUATIC TOXICITY STEPAN CO (US) 2017-05-25 — — US disclosed
EP-3164004-A1 AGRICULTURAL COMPOSITIONS WITH REDUCED AQUATIC TOXICITY Stepan Company (US) 2017-05-10 — — EP disclosed
WO-2016003607-A1 AGRICULTURAL COMPOSITIONS WITH REDUCED AQUATIC TOXICITY STEPAN COMPANY (US) 2016-01-07 — — WO disclosed
US-8431064-B2 Method of using nanoscaled polymer fibers as carriers for agricultural substances PHILLIPS-UNIVERSITAT MARBURG (DE) 2013-04-30 — — US disclosed
EP-1755382-B1 DEVICE AND USE THEREOF FOR PRODUCING NANOSCALAR POLYMER FIBRES THAT ARE USED AS SUPPORTS FOR AGRICULTURAL ACTIVE INGREDIENTS UNIV MARBURG PHILIPPS (DE) 2013-01-30 — — EP disclosed
US-20120270942-A1 Spreading Active Agricultural Agents JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2012-10-25 — — US disclosed
EP-2491171-A1 SPREADING ACTIVE AGRICULTURAL AGENTS Justus-Liebig-Universität Gießen (DE) 2012-08-29 — — EP disclosed
US-8017061-B2 Invention concerning agricultural active substances PHILIPPS-UNIVERSITAT MARBURG (DE) 2011-09-13 — — US disclosed
WO-2011048199-A1 SPREADING ACTIVE AGRICULTURAL AGENTS JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2011-04-28 — — WO disclosed
EP-2314740-A1 Application of agricultural agents Justus-Liebig-Universität Gießen (DE) 2011-04-27 — — EP disclosed
US-20080213590-A1 Invention Concerning Agricultural Active Substances JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2008-09-04 — — US disclosed
EP-1755382-A1 DEVICE AND USE THEREOF FOR PRODUCING NANOSCALAR POLYMER FIBRES THAT ARE USED AS SUPPORTS FOR AGRICULTURAL ACTIVE INGREDIENTS Philipps-Universität Marburg (DE) 2007-02-28 — — EP disclosed
WO-2005115143-A1 DEVICE AND USE THEREOF FOR PRODUCING NANOSCALAR POLYMER FIBRES THAT ARE USED AS SUPPORTS FOR AGRICULTURAL ACTIVE INGREDIENTS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2005-12-08 — — WO 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-10694743-B2 Agricultural compositions with reduced aquatic toxicity AGXT, FADS2, SGMS1 RAB9A 4303/4885NPC1 3415/4885ALDH1A1 2798/4885
US-20170142963-A1 AGRICULTURAL COMPOSITIONS WITH REDUCED AQUATIC TOXICITY AGXT, FADS2, SGMS1 RAB9A 4303/4885NPC1 3415/4885ALDH1A1 2798/4885

“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