SCHEMBL460073

SCHEMBL460073

CC1(C(=O)Nc2cccc(-c3ccc4c(c3)CCC(C(=O)NO)C4)c2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
DGAT1 O75907 1/20 0.40
GRIA2 P42262 1/20 0.39
GHSR Q92847 1/20 0.38
FAAH O00519 4/20 0.38
CETP P11597 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ROCK1 Q13464 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPY2R P49146 1/20 0.37
PARP1 P09874 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL434259 0.90 F10 (0.39) HDAC1DGAT1GRIA2GHSRFAAH
SCHEMBL346787 0.87 GRIA2 (0.40) HDAC1DGAT1GRIA2GHSRFAAH
SCHEMBL438630 0.84 GRIA2 (0.53) HDAC1DGAT1GRIA2GHSRFAAH
SCHEMBL10197813 0.83 DRD2 (0.39) GRIA2GHSRPOLBMCHR1
SCHEMBL10197667 0.80 GRIA2 (0.53) HDAC1GRIA2GHSRALDH1A1POLB
SCHEMBL346350 0.80 MAPK1 (0.48) GRIA2GHSRALDH1A1USP2POLB
SCHEMBL346515 0.79 DGAT1 (0.43) DGAT1GRIA2GHSRFAAHUSP2
SCHEMBL345716 0.79 KHK (0.40) HDAC1GHSRMCHR1
SCHEMBL436430 0.78 GHSR (0.42) DGAT1GHSRFAAHMCHR1
SCHEMBL346777 0.78 KDM4E (0.45) HDAC1DGAT1GRIA2GHSRPARP1

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 4 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
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

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 HDAC1 2/4885DGAT1 4017/4885GRIA2 237/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 HDAC1 4/4885DGAT1 3888/4885GRIA2 674/4885

“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.