SCHEMBL438436

SCHEMBL438436

COc1ccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.44
ABHD6 Q9BV23 1/20 0.43
SCD O00767 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
NAAA Q02083 6/20 0.40
HDAC8 Q9BY41 1/20 0.40
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
ERN1 O75460 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRB3 P13945 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPY5R Q15761 1/20 0.38
FAAH O00519 2/20 0.38

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
SCHEMBL460083 0.90 HDAC8 (0.47) SCDHDAC8CYP1A2ADRB3NPY5R
SCHEMBL459626 0.84 MTNR1A (0.50) MTNR1AMTNR1BNPY5RFAAH
SCHEMBL10197741 0.83 HSD17B3 (0.47) HDAC8MTNR1AMTNR1BFAAH
SCHEMBL436970 0.81 MTNR1A (0.49) CYP11B1CYP11B2HDAC8MTNR1AMTNR1B
SCHEMBL10197736 0.81 HDAC1 (0.53) HDAC8MTNR1AMTNR1BFAAH
SCHEMBL435997 0.80 HDAC8 (0.48) TDP2HDAC8ADRB3
SCHEMBL345603 0.80 ADRB1 (0.41) HDAC8ADRB3FAAH
SCHEMBL10260016 0.78 FAAH (0.51) HDAC8ADRB3FAAH
SCHEMBL10197641 0.78 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL10259280 0.77 HDAC8 (0.39) HDAC8ADRB3FAAH

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 TDP2 2532/4885ABHD6 4232/4885SCD 3217/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 TDP2 1919/4885ABHD6 3614/4885SCD 4039/4885

“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.