SCHEMBL461542

SCHEMBL461542

O=C(NO)C1CCc2cc(-c3ccncc3)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.49
ABL1 P00519 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MCHR1 Q99705 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
DGAT1 O75907 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL10197679 0.95 FAAH (0.44) FAAHABL1HDAC1HDAC3HDAC2
SCHEMBL346797 0.85 FAAH (0.45) FAAHMCHR1HDAC1HDAC2HDAC6
SCHEMBL10260016 0.81 FAAH (0.51) FAAHHDAC1HDAC3HDAC2HDAC6
SCHEMBL346899 0.81 FAAH (0.54) FAAH
SCHEMBL459663 0.80 CYP11B1 (0.57) ABL1CYP1A2CYP11B1CYP11B2HDAC1
SCHEMBL435688 0.80 ADRB3 (0.47) FAAHHDAC1HDAC2HDAC6P2RX7
SCHEMBL461008 0.80 ADRB1 (0.50)
SCHEMBL459845 0.79 FAAH (0.49) FAAHHDAC1HDAC3HDAC2HDAC6
SCHEMBL10197873 0.78 KARS1 (0.45) FAAH
SCHEMBL459626 0.78 MTNR1A (0.50) FAAHMCHR1

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
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO 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 FAAH 1791/4885ABL1 639/4885CYP1A2 1488/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 FAAH 651/4885ABL1 1687/4885CYP1A2 602/4885

“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.