SCHEMBL13622938

SCHEMBL13622938

CCc1ccc(-c2nccs2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
CYP2A6 P11509 1/20 0.50
PDPK1 O15530 1/20 0.47
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2B P29275 1/20 0.41
CHEK2 O96017 1/20 0.39
SMPD3 Q9NY59 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ESR1 P03372 1/20 0.38
SREBF1 P36956 1/20 0.35
SREBF2 Q12772 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL16610138 0.83 LOXL2 (0.50) ADRB2LOXL2CYP2A6PDPK1ADORA2A
SCHEMBL16597351 0.83 LOXL2 (0.50) ADRB2LOXL2CYP2A6PDPK1CHEK2
SCHEMBL13615828 0.82 ADRB2 (0.46) ADRB2LOXL2CYP2A6PDPK1ADORA3
SCHEMBL27980433 0.79 ADRB2 (0.50) ADRB2LOXL2CYP2A6PDPK1CHEK2
SCHEMBL4355883 0.79 LOXL2 (0.50) ADRB2LOXL2CYP2A6PDPK1CHEK2
SCHEMBL8240124 0.78 LOXL2 (0.67) ADRB2LOXL2CYP2A6PDPK1ADORA3
SCHEMBL26040044 0.77 PRMT5 (0.46) PDPK1PTGS1PTGS2PRMT5WDR77
SCHEMBL29462092 0.77 CYP2A6 (0.59) ADRB2LOXL2CYP2A6PDPK1CHEK2
SCHEMBL12490013 0.77 CYP2A6 (0.59) ADRB2LOXL2CYP2A6PDPK1CHEK2
Hydrochloric Acid SCHEMBL17261482 0.75 LOXL2 (0.62) ADRB2LOXL2CYP2A6PDPK1ADORA3

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-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8383785-B2 Anti-bacterial activity of 9-hydroxy derivatives of 6,11-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
WO-2009137737-A2 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6, 11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 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 (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-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ADRB2 3257/4885LOXL2 4254/4885CYP2A6 27/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ADRB2 3257/4885LOXL2 4254/4885CYP2A6 27/4885

“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.