SCHEMBL4617484

SCHEMBL4617484

O=C(CCC(c1ccccc1)c1ccccc1)Nc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 1.00
SMN1; SMN2 Q16637 1/20 0.64
ALDH1A1 P00352 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
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
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
NOTUM Q6P988 2/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
PKM P14618 2/20 0.56
NPC1 O15118 1/20 0.56

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
SCHEMBL11175713 0.85 EPHX2 (0.74) EPHX2SMN1; SMN2ALDH1A1L3MBTL1HDAC3
SCHEMBL10569398 0.83 EPHX2 (0.70) EPHX2SMN1; SMN2ALDH1A1L3MBTL1HDAC3
SCHEMBL19111004 0.82 EPHX2 (0.70) EPHX2SMN1; SMN2ALDH1A1L3MBTL1HDAC3
SCHEMBL31369567 0.82 EPHX2 (0.69) EPHX2SMN1; SMN2ALDH1A1L3MBTL1HDAC3
SCHEMBL31000629 0.82 EPHX2 (0.69) EPHX2SMN1; SMN2ALDH1A1L3MBTL1HDAC3
SCHEMBL5356584 0.80 SMN1; SMN2 (0.73) EPHX2SMN1; SMN2ALDH1A1L3MBTL1HDAC3
SCHEMBL25680825 0.80 EPHX2 (0.66) EPHX2SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL17778393 0.79 MAPT (0.71) EPHX2SMN1; SMN2ALDH1A1L3MBTL1HDAC3
SCHEMBL25687361 0.79 EPHX2 (0.65) EPHX2SMN1; SMN2ALDH1A1L3MBTL1HDAC3
SCHEMBL15480449 0.79 HDAC3 (0.88) EPHX2SMN1; SMN2ALDH1A1L3MBTL1HDAC3

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
EP-1885697-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-13 EP disclosed
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 US disclosed
WO-2006121719-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-16 WO 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-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885SMN1; SMN2 4277/4885ALDH1A1 385/4885

“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.