SCHEMBL5529441

SCHEMBL5529441

O=C1c2c(OCc3ccccc3)c(=O)ccn2CCN1Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 5/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
HTT P42858 5/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 1/20 0.40
ENPP2 Q13822 1/20 0.39
AKR1B1 P15121 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRM2 Q14416 1/20 0.39
RAB9A P51151 1/20 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
SCHEMBL4315401 0.86 NPSR1 (0.44) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL5537087 0.82 LMNA (0.53) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL24262593 0.81 SMN1; SMN2 (0.54) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL4328794 0.81 NPSR1 (0.43) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL5532677 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL5531193 0.79 LMNA (0.49) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL4149319 0.78 LMNA (0.51) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL4153042 0.78 RAB9A (0.46) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL3983952 0.78 LMNA (0.48) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL17925636 0.77 LMNA (0.47) SMN1; SMN2LMNAL3MBTL1NCOA3HTT

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-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 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-20070161639-A1 Hiv integrase inhibitors DPYD, DUT, TYMP SMN1; SMN2 3997/4885LMNA 2868/4885L3MBTL1 1226/4885

“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.