SCHEMBL346459

SCHEMBL346459

O=C(NO)C1CCc2cc(CCC3CCCNC3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 3/20 0.37
HRH4 Q9H3N8 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
S1PR3 Q99500 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL435892 0.75 ULK1 (0.51) KMT2AROCK2
SCHEMBL346639 0.74 HTR2C (0.36)
SCHEMBL10247050 0.73 KMT2A (0.44) KMT2AROCK2
SCHEMBL346576 0.72 GRIN2B (0.44)
SCHEMBL436766 0.69 NR1H2 (0.39)
SCHEMBL436877 0.68 PSMB8 (0.48) KMT2A
SCHEMBL27553990 0.67 HRH3 (0.49) KMT2AHRH3HRH4CHRNB2CHRNB4
SCHEMBL13505501 0.67 KMT2A (0.52) KMT2AHRH3HRH4CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL13505407 0.66 KMT2A (0.51) KMT2AHRH3HRH4CHRNB2CHRNB4
SCHEMBL346139 0.66 MTNR1A (0.43)

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
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

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 KMT2A 41/4885HRH3 48/4885HRH4 109/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KMT2A 60/4885HRH3 29/4885HRH4 34/4885

“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.