SCHEMBL460364

SCHEMBL460364

Cc1ccc(C)c(-c2ccc3c(c2)CC(C(=O)NO)CC3)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.46
CREBBP Q92793 1/20 0.40
HDAC8 Q9BY41 3/20 0.38
ADRB3 P13945 2/20 0.37
S1PR4 O95977 1/20 0.37
LRRK2 Q5S007 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
ADRB1 P08588 1/20 0.36
MAPK14 Q16539 3/20 0.35
GHSR Q92847 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
SCHEMBL460305 0.84 MCL1 (0.39) ABL1HDAC8ADRB3ADRB1GHSR
SCHEMBL436554 0.81 ABL1 (0.47) ABL1HDAC8ADRB3LRRK2ADRB1
SCHEMBL460204 0.80 MTNR1A (0.46) ABL1HDAC8ADRB3ADRB1
SCHEMBL436838 0.78 P2RX7 (0.46) ABL1HDAC8ADRB3ADRB1GHSR
SCHEMBL10197741 0.78 HSD17B3 (0.47) HDAC8
SCHEMBL10260016 0.77 FAAH (0.51) HDAC8ADRB3HDAC7ADRB1GHSR
SCHEMBL459626 0.77 MTNR1A (0.50)
SCHEMBL435688 0.76 ADRB3 (0.47) HDAC8ADRB3ADRB1
SCHEMBL436855 0.76 GHSR (0.46) HDAC8ADRB3GHSR
SCHEMBL10197679 0.75 FAAH (0.44) ABL1HDAC8ADRB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ABL1 639/4885CREBBP 1692/4885HDAC8 13/4885

“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.