SCHEMBL366547

SCHEMBL366547

O=C(NO)C1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.55
GHSR Q92847 1/20 0.55
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
FAAH O00519 2/20 0.49
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NPY5R Q15761 3/20 0.44
PLAU P00749 1/20 0.44
GBA1 P04062 1/20 0.44

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
SCHEMBL5181898 0.87 HDAC4 (0.53) P2RX7FAAHHDAC4HDAC7HDAC5
SCHEMBL8569917 0.84 GHSR (0.57) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL6584070 0.84 P2RX7 (0.53) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL6584064 0.84 P2RX7 (0.53) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL7072069 0.83 P2RX7 (0.52) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL10260016 0.82 FAAH (0.51) GHSRFAAHHDAC4HDAC7HDAC5
SCHEMBL6642213 0.81 GHSR (0.69) P2RX7GHSR
SCHEMBL25518906 0.80 GHSR (0.53) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL346164 0.80 KMT2A (0.48) P2RX7GHSRMTNR1AMTNR1B
SCHEMBL459845 0.80 FAAH (0.49) GHSRFAAHHDAC4HDAC7HDAC5

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
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
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 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 (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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 P2RX7 3461/4885GHSR 1236/4885MTNR1A 1579/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 P2RX7 1148/4885GHSR 2184/4885MTNR1A 1442/4885
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA P2RX7 2292/4885GHSR 2896/4885MTNR1A 2093/4885

“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.