SCHEMBL6700894

SCHEMBL6700894

O=c1c(O)c(-c2ccccc2)oc2ccc(I)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.70
MAPT P10636 8/20 0.70
ACHE P22303 3/20 0.69
BCHE P06276 2/20 0.69
CYP3A4 P08684 10/20 0.68
MEN1 O00255 9/20 0.68
KMT2A Q03164 9/20 0.68
ALOX15 P16050 5/20 0.68
TP53 P04637 5/20 0.68
MAPK1 P28482 4/20 0.68
LMNA P02545 3/20 0.68
ABCB1 P08183 3/20 0.68
CA12 O43570 2/20 0.68
CYP1B1 Q16678 2/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CALM1 P0DP23 1/20 0.68
AR P10275 1/20 0.68
PKM P14618 1/20 0.68
CA9 Q16790 1/20 0.68

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
SCHEMBL15456750 0.85 CYP3A4 (0.82) KDM4EMAPTACHEBCHECYP3A4
SCHEMBL1627936 0.85 CYP3A4 (0.82) KDM4EMAPTACHEBCHECYP3A4
SCHEMBL74701 0.83 CYP3A4 (0.74) KDM4EMAPTACHEBCHECYP3A4
SCHEMBL5130608 0.82 MAPT (0.70) KDM4EMAPTACHEBCHECYP3A4
SCHEMBL4650064 0.82 MAPT (1.00) KDM4EMAPTACHEBCHECYP3A4
SCHEMBL12941005 0.82 MKNK2 (0.75) KDM4EMAPTACHEBCHECYP3A4
SCHEMBL28551742 0.82 MEN1 (0.77) KDM4EMAPTACHEBCHECYP3A4
SCHEMBL6176954 0.81 KDM4E (0.68) KDM4EMAPTACHEBCHECYP3A4
Flavonol SCHEMBL29433939 0.81 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Flavonol SCHEMBL20246 0.81 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147597-A1 Anti-mycobacterium compositions and methods of preparing and using same ADVANCED LIFE SCIENCES, INC. 2004-07-29 US disclosed
US-6677350-B1 ADMINISTERING CHALCONE-LIKE VINYLCARBONYL COMPOUNDS TO PREVENT OR TREAT MYCOBACTERIUM INFECTIONS/TUBERCULOSIS ADVANCED LIFE SCIENCES, INC. 2004-01-13 US disclosed
EP-1217995-A2 ANTI-MYCOBACTERIUM COMPOSITIONS AND METHODS OF PREPARING AND USING SAME Advanced Life Sciences Inc. (US) 2002-07-03 EP disclosed
WO-2001021164-A2 ANTI-MYCOBACTERIUM COMPOSITIONS AND METHODS OF PREPARING AND USING SAME ADVANCED LIFE SCIENCES, INC. (US) 2001-03-29 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 (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-20040147597-A1 Anti-mycobacterium compositions and methods of preparing and using same IMMT, CYP51A1, LSS KDM4E 2116/4885MAPT 2468/4885ACHE 2829/4885

“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.