SCHEMBL9900713

SCHEMBL9900713

O=C(CCCCCN1C(=O)c2ccccc2C1=O)OO.O=C(O)CCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.60
ALDH1A1 P00352 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
HDAC8 Q9BY41 3/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KMT2A Q03164 6/20 0.55
HSD17B10 Q99714 3/20 0.55
MEN1 O00255 3/20 0.55
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL131905 0.94 HDAC8 (0.64) HPGDALDH1A1L3MBTL1HDAC8HDAC3
SCHEMBL221851 0.94 HDAC8 (0.64) HPGDALDH1A1L3MBTL1HDAC8HDAC3
SCHEMBL3004348 0.94 HDAC8 (0.64) HPGDALDH1A1L3MBTL1HDAC8HDAC3
SCHEMBL2998323 0.94 HDAC8 (0.64) HPGDALDH1A1L3MBTL1HDAC8HDAC3
SCHEMBL21636 0.94 HDAC8 (0.64) HPGDALDH1A1L3MBTL1HDAC8HDAC3
SCHEMBL29367891 0.94 HDAC8 (0.64) HPGDALDH1A1L3MBTL1HDAC8HDAC3
SCHEMBL3004254 0.94 HDAC8 (0.64) HPGDALDH1A1L3MBTL1HDAC8HDAC3
SCHEMBL2997120 0.94 HDAC8 (0.64) HPGDALDH1A1L3MBTL1HDAC8HDAC3
SCHEMBL131161 0.93 KMT2A (0.62) HPGDALDH1A1L3MBTL1HDAC8HDAC3
SCHEMBL9899475 0.90 HDAC8 (0.69) HPGDALDH1A1L3MBTL1HDAC8HDAC3

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-8906914-B2 Ethylene diamine modulators of fatty acid hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-09 US claimed
US-20120149696-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-06-14 US claimed
US-8906914-B2 Ethylene diamine modulators of fatty acid hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-09 US disclosed
US-20120149696-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-06-14 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-20120149696-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE FAAH, FAAH2, APEH HPGD 266/4885ALDH1A1 433/4885L3MBTL1 4568/4885

“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.