SCHEMBL10247360

SCHEMBL10247360

O=C(NO)c1ccc2c(c1)CCC(CCc1cccc(C3CCNCC3)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.41
SGPL1 O95470 5/20 0.41
HDAC8 Q9BY41 6/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC1 Q13547 1/20 0.38
TLR2 O60603 2/20 0.37
ACHE P22303 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL353350 0.82 HDAC8 (0.51) HDAC8HDAC6HDAC1MCHR1
SCHEMBL354859 0.78 HDAC8 (0.52) HDAC8HDAC6HDAC1
SCHEMBL346639 0.77 HTR2C (0.36)
SCHEMBL15985074 0.76 HDAC8 (0.45) HDAC8HDAC6HDAC1
SCHEMBL10247050 0.74 KMT2A (0.44) HDAC8HDAC6
SCHEMBL10247084 0.73 MCHR1 (0.43) S1PR1SGPL1HDAC8HDAC6HDAC1
SCHEMBL10247358 0.71 HDAC8 (0.47) HDAC8HDAC6
SCHEMBL10246917 0.70 HDAC6 (0.51) S1PR1SGPL1HDAC8HDAC6HDAC1
SCHEMBL2611451 0.70 HDAC6 (0.42) HDAC8HDAC6HDAC1TLR2
SCHEMBL10224370 0.70 PRMT5 (0.41) HDAC6HDAC1MCHR1

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 S1PR1 985/4885SGPL1 2416/4885HDAC8 13/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 S1PR1 1729/4885SGPL1 3180/4885HDAC8 20/4885

“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.