SCHEMBL2446818

SCHEMBL2446818

O=C(O)c1ccccc1OCc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.57
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 1/20 0.56
PTK2B Q14289 1/20 0.56
KDM4E B2RXH2 5/20 0.54
HTT P42858 3/20 0.54
NPC1 O15118 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46
TSHR P16473 1/20 0.46
GGT1 P19440 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
BLM P54132 1/20 0.46
NAPRT Q6XQN6 1/20 0.46

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
SCHEMBL8979256 0.88 NPC1 (0.47) APEX1ALDH1A1KMT2APTK2BKDM4E
SCHEMBL5839896 0.86 ALDH1A1 (0.54) APEX1ALDH1A1KMT2APTK2BKDM4E
SCHEMBL5839695 0.85 APEX1 (0.56) APEX1ALDH1A1KMT2APTK2BKDM4E
SCHEMBL5839915 0.83 APEX1 (0.53) APEX1ALDH1A1KMT2APTK2BKDM4E
SCHEMBL28501298 0.81 APEX1 (0.67) APEX1ALDH1A1KMT2APTK2BKDM4E
SCHEMBL2452574 0.80 LMNA (0.68) ALDH1A1KMT2APTK2BKDM4ENPC1
SCHEMBL28758280 0.80 NPC1 (0.56) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL5839124 0.79 SGMS2 (0.60) APEX1ALDH1A1KMT2APTK2BHTT
SCHEMBL112903 0.79 SGMS2 (0.66) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL29433417 0.79 SGMS2 (0.66) ALDH1A1KMT2APTK2BKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591276-A Dendritic self-assembly optical nonlinear chromophore and synthetic method and application thereof 广州大学 2022-06-07 CN claimed
CN-114656432-B Self-assembled organic optical nonlinear chromophore, and synthesis method and application thereof 广州大学 2023-05-26 CN disclosed
CN-114656432-A Self-assembled organic optical nonlinear chromophore and synthetic method and application thereof 广州大学 2022-06-24 CN disclosed
CN-114591276-A Dendritic self-assembly optical nonlinear chromophore and synthetic method and application thereof 广州大学 2022-06-07 CN disclosed
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 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 (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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 APEX1 3835/4885ALDH1A1 831/4885KMT2A 1190/4885

“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.