SCHEMBL436906

SCHEMBL436906

O=C(NC1CCNC1)c1ccc(Oc2ccc3c(c2)CCC(C(=O)NO)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.41
MET P08581 1/20 0.41
FAAH O00519 10/20 0.40
HDAC4 P56524 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
SCN9A Q15858 1/20 0.38
KDR P35968 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
EZH2 Q15910 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL346139 0.81 MTNR1A (0.43) FAAH
SCHEMBL10197685 0.78 FAAH (0.60) FAAH
SCHEMBL10197705 0.76 NPC1 (0.59) FAAHNPC1
SCHEMBL346899 0.76 FAAH (0.54) FAAH
SCHEMBL10197645 0.73 FAAH (0.54) FAAH
SCHEMBL24322445 0.73 MAPK1 (0.55) HDAC4CA1CA2NPC1
SCHEMBL10197653 0.72 ADRB3 (0.46) FAAHCA1CA2ACHE
SCHEMBL460177 0.72 FAAH (0.48) FAAH
SCHEMBL346286 0.72 CA1 (0.56) FAAHCA1CA2ACHE
SCHEMBL346830 0.71 FAAH (0.49) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 CHEK2 1934/4885MET 1730/4885FAAH 1791/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 CHEK2 3527/4885MET 2984/4885FAAH 651/4885

“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.