SCHEMBL345624

SCHEMBL345624

O=C(NO)C1CCc2ccc(Oc3cccc(NC(=O)C4CC4)c3)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
BRAF P15056 10/20 0.49
RAF1 P04049 9/20 0.49
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDR P35968 2/20 0.45
ALDH1A1 P00352 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
SCHEMBL345816 0.91 FAAH (0.44) MTNR1AMTNR1BBRAFRAF1
SCHEMBL10197674 0.90 RAF1 (0.47) MTNR1AMTNR1BBRAFRAF1LMNA
SCHEMBL461415 0.90 MTNR1A (0.54) MTNR1AMTNR1BBRAFRAF1HTT
SCHEMBL344637 0.89 BRAF (0.47) MTNR1AMTNR1BBRAFRAF1KDR
SCHEMBL346380 0.88 MTNR1A (0.56) MTNR1AMTNR1BBRAFRAF1USP2
SCHEMBL10197717 0.87 MMP8 (0.47) BRAFRAF1
SCHEMBL459415 0.86 FAAH (0.43) MTNR1AMTNR1BBRAFRAF1ALDH1A1
SCHEMBL10197645 0.85 FAAH (0.54)
SCHEMBL346350 0.84 MAPK1 (0.48) USP2LMNAGAAHPGDHTT
SCHEMBL346641 0.84 GHSR (0.49) USP2LMNAGAAHPGDHTT

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
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
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 MTNR1A 1579/4885MTNR1B 1240/4885BRAF 3601/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MTNR1A 1442/4885MTNR1B 1160/4885BRAF 4293/4885

“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.