SCHEMBL2965295

SCHEMBL2965295

C1=Cc2ccccc2OO1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
TRPA1 O75762 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL121645 1.00 KDM4E (0.36) KDM4EMEN1ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL11520833 0.98 KDM4E (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL8071921 0.98 KDM4E (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
Cyclohexane SCHEMBL23674788 0.93 KDM4E (0.33) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL23674717 0.84 LMNA (0.36) ITGB2ICAM1ITGAL
2,3,7,8-Tetrachlorodibenzo-P-Dioxin SCHEMBL10692049 0.83 AHR (0.45) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL8029525 0.82 CTSD (0.33) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL630371 0.76
SCHEMBL231835 0.76 KDM4E (0.34) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL3556 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US claimed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US claimed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US claimed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
EP-0106860-B1 NEW CARBOXAMIDOGUANIDINS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOUCHARA S.A. (FR) 1988-01-20 EP disclosed
EP-0106860-A1 NEW CARBOXAMIDOGUANIDINS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. BOUCHARA EMILE (FR) 1984-05-02 EP disclosed
WO-1983003829-A1 NEW CARBOXAMIDOGUANIDINS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOUCHARA, EMILE (FR) 1983-11-10 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 (3 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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A KDM4E 1472/4885MEN1 3887/4885ALDH1A1 2457/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A KDM4E 1472/4885MEN1 3887/4885ALDH1A1 2457/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A KDM4E 1472/4885MEN1 3887/4885ALDH1A1 2457/4885

“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.