SCHEMBL4355883

SCHEMBL4355883

NOCc1ccc(-c2nccs2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
CYP2A6 P11509 1/20 0.46
PDPK1 O15530 1/20 0.43
ADRB2 P07550 3/20 0.43
CHEK2 O96017 1/20 0.39
SMPD3 Q9NY59 1/20 0.39
CARM1 Q86X55 2/20 0.36
PRMT1 Q99873 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPK14 Q16539 1/20 0.34
SMO Q99835 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL5016046 0.80 LOXL2 (0.66) LOXL2CYP2A6PDPK1ADRB2CARM1
SCHEMBL16597351 0.79 LOXL2 (0.50) LOXL2CYP2A6PDPK1ADRB2CHEK2
SCHEMBL13622938 0.79 ADRB2 (0.50) LOXL2CYP2A6PDPK1ADRB2CHEK2
SCHEMBL16610138 0.79 LOXL2 (0.50) LOXL2CYP2A6PDPK1ADRB2CHEK2
SCHEMBL3647330 0.76 CDC25A (0.38) PRMT1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL27980433 0.75 ADRB2 (0.50) LOXL2CYP2A6PDPK1ADRB2CHEK2
SCHEMBL13615828 0.75 ADRB2 (0.46) LOXL2CYP2A6PDPK1ADRB2CHEK2
SCHEMBL28790747 0.74 LOXL2 (0.42) LOXL2CYP2A6PDPK1ADRB2CHEK2
SCHEMBL4021798 0.73 LOXL2 (0.55) LOXL2CYP2A6PDPK1ADRB2CHEK2
SCHEMBL3657653 0.73 ADORA3 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPI4KB

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 3 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
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 LOXL2 4254/4885CYP2A6 27/4885PDPK1 2369/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 LOXL2 4254/4885CYP2A6 27/4885PDPK1 2369/4885

“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.