SCHEMBL460305

SCHEMBL460305

Cc1ccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.39
FAAH O00519 8/20 0.38
GHSR Q92847 1/20 0.38
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
P2RX7 Q99572 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NPY5R Q15761 2/20 0.34
ABL1 P00519 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL460364 0.84 ABL1 (0.46) GHSRADRB1ADRB3ABL1HDAC8
SCHEMBL436554 0.82 ABL1 (0.47) ADRB1ADRB3ABL1HDAC8HDAC6
SCHEMBL436838 0.81 P2RX7 (0.46) FAAHGHSRADRB1ADRB3P2RX7
SCHEMBL10197741 0.81 HSD17B3 (0.47) FAAHHDAC8HDAC6
SCHEMBL10260016 0.80 FAAH (0.51) FAAHGHSRADRB1ADRB3HDAC1
SCHEMBL438347 0.80 ERN1 (0.42) FAAHGHSRP2RX7HDAC1HDAC2
SCHEMBL460551 0.80 TDO2 (0.41)
SCHEMBL460204 0.80 MTNR1A (0.46) ADRB1ADRB3ABL1HDAC8
SCHEMBL459845 0.78 FAAH (0.49) FAAHGHSRADRB1ADRB3HDAC1
SCHEMBL437694 0.77 GSK3B (0.47) FAAHGHSRP2RX7HDAC1HDAC2

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-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
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 MCL1 823/4885FAAH 1791/4885GHSR 1236/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MCL1 1287/4885FAAH 651/4885GHSR 2184/4885

“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.