SCHEMBL3316461

SCHEMBL3316461

O=C(Cc1ccc(Oc2ccc(F)cc2)cc1)N1CC(NC2Cc3ccc(F)cc3C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LIPE Q05469 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
MMP2 P08253 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
PKM P14618 1/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
BRS3 P32247 1/20 0.38
MLNR O43193 3/20 0.38
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL3313736 0.91 LTA4H (0.44) L3MBTL1SMN1; SMN2ALDH1A1LIPEHPGD
SCHEMBL3313789 0.83 FAAH (0.46) SMN1; SMN2ALDH1A1HPGDMMP3
SCHEMBL3317404 0.82 ALDH1A1 (0.40) L3MBTL1SMN1; SMN2ALDH1A1LIPEHPGD
SCHEMBL3314829 0.77 CCR3 (0.41) ALDH1A1POLBLTA4HEPHX2MLNR
SCHEMBL3017767 0.70 TP53 (0.39) SMN1; SMN2POLBLTA4HEPHX2BRS3
SCHEMBL3022615 0.69 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LTA4HMLNRROCK2
SCHEMBL3317018 0.68 HTR1D (0.52)
SCHEMBL3317869 0.67 HRH3 (0.47) L3MBTL1SMN1; SMN2ALDH1A1HPGDCYP3A4
SCHEMBL3022442 0.66 LIPG (0.41) ALDH1A1LIPEMMP2MMP1MMP3
SCHEMBL30755036 0.66 SMN1; SMN2 (0.56) L3MBTL1SMN1; SMN2ALDH1A1HPGDPOLB

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 2 patents. 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
US-20100105755-A1 SUBSTITUTED BENZAMIDE MODULATORS OF DOPAMINE RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 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 (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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 L3MBTL1 861/4885SMN1; SMN2 784/4885ALDH1A1 1255/4885
US-20100105755-A1 SUBSTITUTED BENZAMIDE MODULATORS OF DOPAMINE RECEPTOR DBH, SLC6A3, HTR5A L3MBTL1 4498/4885SMN1; SMN2 2869/4885ALDH1A1 836/4885

“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.