SCHEMBL7795783

SCHEMBL7795783

O=C(NO)c1cc2c(s1)CCN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.53
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDR P35968 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
EPHX2 P34913 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GRIN2B Q13224 3/20 0.46
TP53 P04637 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
KDM1A O60341 2/20 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
SCHEMBL7797507 0.92 HDAC6 (0.53) HDAC6MAPTSMN1; SMN2NPSR1KDR
SCHEMBL25574412 0.80 KMT2A (0.65) MAPTSMN1; SMN2EPHX2GRIN2BTP53
SCHEMBL25574313 0.79 MEN1 (0.56) MAPTSMN1; SMN2NPSR1KDREPHX2
SCHEMBL12868934 0.78 HDAC6 (0.55) HDAC6MAPTSMN1; SMN2EPHX2TP53
SCHEMBL25574288 0.78 SLC6A3 (0.57) MAPTSMN1; SMN2NPSR1KDREPHX2
SCHEMBL25574299 0.78 SLC6A3 (0.57) MAPTSMN1; SMN2NPSR1KDREPHX2
SCHEMBL25574320 0.78 EPHX2 (0.55) MAPTSMN1; SMN2NPSR1KDREPHX2
SCHEMBL7795388 0.77 HDAC6 (0.53) HDAC6KDM1A
SCHEMBL25574262 0.76 GPR142 (0.57) MAPTSMN1; SMN2NPSR1KDREPHX2
SCHEMBL25574260 0.76 MAPT (0.55) MAPTSMN1; SMN2NPSR1KDREPHX2

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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885MAPT 2380/4885SMN1; SMN2 500/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885MAPT 2380/4885SMN1; SMN2 500/4885

“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.