SCHEMBL3313736

SCHEMBL3313736

O=C(Cc1ccc(Oc2ccc(F)cc2)cc1)N1CC(NC2Cc3ccccc3C2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.41
LIPE Q05469 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
PRMT5 O14744 2/20 0.40
MMP8 P22894 2/20 0.40
MMP3 P08254 2/20 0.40
GRM7 Q14831 1/20 0.40
MMP2 P08253 2/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
PKM P14618 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL3313789 0.92 FAAH (0.46) ALDH1A1SMN1; SMN2HPGDLMNAGAA
SCHEMBL3316461 0.91 L3MBTL1 (0.41) LTA4HEPHX2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3317404 0.77 ALDH1A1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2HPGDLIPE
SCHEMBL3314829 0.77 CCR3 (0.41) LTA4HEPHX2ALDH1A1POLBLMNA
SCHEMBL3317869 0.73 HRH3 (0.47) L3MBTL1ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL4716599 0.71 GRM7 (0.40) LTA4HEPHX2L3MBTL1ALDH1A1GAA
SCHEMBL3316432 0.71 KMT2A (0.47) EPHX2L3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3318035 0.71 FAAH (0.53) LTA4HL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3007280 0.70 SMN1; SMN2 (0.43) LTA4HEPHX2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3316638 0.69 GRM7 (0.43) LMNAGRM7RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 LTA4H 642/4885EPHX2 1305/4885L3MBTL1 861/4885

“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.