SCHEMBL435848

SCHEMBL435848

CN(C)C(=O)c1cc(-c2ccc3c(c2)CC(C(=O)NO)CC3)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
ACHE P22303 6/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
P2RX7 Q99572 1/20 0.36
GHSR Q92847 1/20 0.36
ADRB3 P13945 4/20 0.36
ADRB1 P08588 2/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PDK2 Q15119 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
MCHR1 Q99705 1/20 0.33

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
SCHEMBL345603 0.85 ADRB1 (0.41) ACHECA1CA2GHSRADRB3
SCHEMBL435688 0.80 ADRB3 (0.47) CA1CA2P2RX7ADRB3ADRB1
SCHEMBL436855 0.79 GHSR (0.46) ACHECA1CA2GHSRADRB3
SCHEMBL435997 0.78 HDAC8 (0.48) ALDH1A1P2RX7ADRB3ADRB1HDAC8
SCHEMBL436838 0.77 P2RX7 (0.46) CA1CA2P2RX7GHSRADRB3
SCHEMBL346051 0.77 CA1 (0.47) CA1CA2P2RX7ADRB3ADRB1
SCHEMBL10260016 0.76 FAAH (0.51) GHSRADRB3ADRB1HDAC8
SCHEMBL459626 0.76 MTNR1A (0.50) ACHECA1CA2MMP2MMP9
SCHEMBL346797 0.75 FAAH (0.45) CA1CA2P2RX7ADRB3ADRB1
SCHEMBL10197679 0.74 FAAH (0.44) P2RX7ADRB3MMP2MMP9HDAC8

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
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
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 ALDH1A1 559/4885ACHE 3602/4885CA1 400/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ALDH1A1 185/4885ACHE 1149/4885CA1 844/4885

“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.