SCHEMBL4288852

SCHEMBL4288852

O=C(/C=C/c1ccc(Sc2ccc(F)cc2)cc1Cl)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 4/20 0.51
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
F2R P25116 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
PELI1 Q96FA3 1/20 0.44
HPGD P15428 1/20 0.43
CCR1 P32246 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR183 P32249 1/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42

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
SCHEMBL4288857 1.00 ITGAL (0.51) ITGALALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL4276975 0.89 ITGAL (0.53) ITGALRAB9AL3MBTL1F2RKDM4E
SCHEMBL4276982 0.89 ITGAL (0.53) ITGALRAB9AL3MBTL1F2RKDM4E
SCHEMBL13879613 0.86 ITGAL (0.69) ITGALMAPTL3MBTL1F2RSMN1; SMN2
SCHEMBL13879673 0.84 ITGAL (0.54) ITGALALDH1A1RAB9AMAPTLMNA
SCHEMBL4280146 0.84 ITGAL (0.45) ITGALALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL4280137 0.84 ITGAL (0.45) ITGALALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL4276929 0.82 ITGAL (0.62) ITGALALDH1A1RAB9AF2RKDM4E
SCHEMBL4276933 0.82 ITGAL (0.62) ITGALALDH1A1RAB9AF2RKDM4E
SCHEMBL4280329 0.82 ITGAL (0.44) ITGALALDH1A1RAB9AMAPTL3MBTL1

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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 ITGAL 4495/4885ALDH1A1 1500/4885RAB9A 3148/4885

“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.