SCHEMBL3527668

SCHEMBL3527668

COc1ccc(CCN(C)c2nccs2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
BLM P54132 2/20 0.55
PMP22 Q01453 1/20 0.55
AOC3 Q16853 1/20 0.54
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 6/20 0.52
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.47
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL7430428 0.73 CYP1A2 (1.00) SMN1; SMN2CYP1A2CYP3A4CYP2D6BLM
SCHEMBL10118317 0.73 CYP1A2 (0.79) SMN1; SMN2CYP1A2CYP3A4CYP2D6BLM
Hydrochloric Acid SCHEMBL29651387 0.72 BLM (1.00) SMN1; SMN2CYP1A2CYP3A4CYP2D6BLM
Hydrochloric Acid SCHEMBL7194533 0.72 BLM (1.00) SMN1; SMN2CYP1A2CYP3A4CYP2D6BLM
SCHEMBL9813064 0.70 CYP1A2 (0.74) SMN1; SMN2CYP1A2CYP3A4CYP2D6BLM
SCHEMBL8199403 0.70 PPARG (0.47) LMNASMN1; SMN2GAATSHRKDM4E
SCHEMBL6575575 0.69 CYP1A2 (0.83) SMN1; SMN2CYP1A2CYP3A4CYP2D6BLM
SCHEMBL18239557 0.69 CYP3A4 (0.90) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL16641094 0.69 CYP19A1 (0.77) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL31157848 0.69 CYP19A1 (0.77) CYP1A2CYP3A4CYP2D6BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142353-A1 ANTIBACTERIAL COMPOUNDS ABBVIE INC. 2007-06-21 US claimed
US-7196200-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2007-03-27 US claimed
US-20050159423-A1 Antibacterial compounds ABBOTT LABORATORIES 2005-07-21 US claimed
US-7737159-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2010-06-15 US disclosed
US-20070142353-A1 ANTIBACTERIAL COMPOUNDS ABBVIE INC. 2007-06-21 US disclosed
US-7196200-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2007-03-27 US disclosed
US-20050159423-A1 Antibacterial compounds ABBOTT LABORATORIES 2005-07-21 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-20070142353-A1 ANTIBACTERIAL COMPOUNDS MRPL21, FDPS, PGLS LMNA 3464/4885SMN1; SMN2 4141/4885CYP1A2 1523/4885
US-20050159423-A1 Antibacterial compounds MRPL21, FDPS, PGLS LMNA 3464/4885SMN1; SMN2 4141/4885CYP1A2 1523/4885

“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.