SCHEMBL3552049

SCHEMBL3552049

C[Si](C)(C)CCOC(=O)NNCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPID Q08752 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL473103 0.81 TDP1 (0.55) LMNACYP1A2ALDH1A1CYP2C19CYP3A4
SCHEMBL7434407 0.80 GAA (0.60) LMNACYP1A2PTGS2ALDH1A1CYP2C19
SCHEMBL7396978 0.79 CA12 (0.57) LMNAALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL474570 0.78 SMN1; SMN2 (0.53) LMNACYP1A2ALDH1A1CYP2C19CYP3A4
SCHEMBL16762137 0.74 LMNA (0.55) LMNAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL10460258 0.73 CTSL (0.52) ALDH1A1L3MBTL1ATM
SCHEMBL9937386 0.73 SMN1; SMN2 (0.47) LMNACYP1A2ALDH1A1CYP2C19CYP3A4
SCHEMBL4883409 0.73 BRD4 (0.61) L3MBTL1NPC1RAB9A
SCHEMBL3463370 0.73 CASP1 (0.52) ALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL25771684 0.72 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1ATMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
EP-1697348-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 US disclosed
WO-2005061487-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-07-07 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-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP LMNA 3100/4885CYP1A2 2459/4885PTGS2 1850/4885

“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.