SCHEMBL5048640

SCHEMBL5048640

CCCCCN1C=CN(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
KCNH2 Q12809 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
DRD3 P35462 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR8 Q9NR97 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
EEF2K O00418 1/20 0.40

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
SCHEMBL5286590 0.98 ALDH1A1 (0.47) ALDH1A1LMNAKCNH2CYP1A2CYP2D6
SCHEMBL5302624 0.98 ALDH1A1 (0.47) ALDH1A1LMNAKCNH2CYP1A2CYP2D6
SCHEMBL5302861 0.98 ALDH1A1 (0.47) ALDH1A1LMNAKCNH2CYP1A2CYP2D6
SCHEMBL5284664 0.98 ALDH1A1 (0.47) ALDH1A1LMNAKCNH2CYP1A2CYP2D6
SCHEMBL5301218 0.98 ALDH1A1 (0.47) ALDH1A1LMNAKCNH2CYP1A2CYP2D6
SCHEMBL5295981 0.98 ALDH1A1 (0.47) ALDH1A1LMNAKCNH2CYP1A2CYP2D6
SCHEMBL5307711 0.98 ALDH1A1 (0.47) ALDH1A1LMNAKCNH2CYP1A2CYP2D6
SCHEMBL5813637 0.98 ALDH1A1 (0.47) ALDH1A1LMNAKCNH2CYP1A2CYP2D6
SCHEMBL5297855 0.98 ALDH1A1 (0.47) ALDH1A1LMNAKCNH2CYP1A2CYP2D6
SCHEMBL5304017 0.98 ALDH1A1 (0.47) ALDH1A1LMNAKCNH2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 CN claimed
CN-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 CN disclosed
CN-107416784-B Two-dimensional black phosphorus nanosheet and liquid-phase stripping preparation method thereof 深圳大学 2020-05-26 CN disclosed
US-20130116431-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116251-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
EP-1857446-B1 Derivatives of 3-(2,4-dihydroxyphenyl)-1,2,4-triazole useful in the treatment of cancer NIPPON KAYAKU KK (JP) 2013-05-01 EP disclosed
US-8399464-B2 using a triazole compound; anticancer agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-19 US disclosed
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 US disclosed
EP-1857446-A1 NOVEL HSP90 INHIBITOR Nippon Kayaku Kabushiki Kaisha (JP) 2007-11-21 EP disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 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 (5 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-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 ALDH1A1 873/4885LMNA 4630/4885KCNH2 4241/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 ALDH1A1 873/4885LMNA 4630/4885KCNH2 4241/4885
US-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 ALDH1A1 1437/4885LMNA 4452/4885KCNH2 4286/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 ALDH1A1 873/4885LMNA 4630/4885KCNH2 4241/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 ALDH1A1 873/4885LMNA 4630/4885KCNH2 4241/4885

“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.