SCHEMBL674404

SCHEMBL674404

CCCCCc1nccnc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PTGS2 P35354 5/20 0.35
CHRM1 P11229 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALOX5 P09917 5/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL20873451 0.98 CCNB2 (0.39) CYP2D6TDP1L3MBTL1CYP3A4CCNB2
SCHEMBL997911 0.94 CYP2D6 (0.39) CYP2D6TDP1L3MBTL1CYP3A4CCNB2
SCHEMBL2581673 0.86 CYP2D6 (0.37) CYP2D6CCNB2CDK1CCNB1GSK3A
SCHEMBL28229981 0.82 CCNB2 (0.36) CYP2D6CCNB2CDK1CCNB1GSK3A
SCHEMBL1074604 0.81 TDP1 (0.47) CYP2D6TDP1L3MBTL1CYP3A4PTGS2
SCHEMBL27818098 0.79 TDP1 (0.45) TDP1L3MBTL1CYP3A4PTGS2CHRM1
SCHEMBL2585189 0.78 CYP2D6 (0.39) CYP2D6TDP1L3MBTL1CYP3A4CYP19A1
SCHEMBL30149469 0.78 CYP2D6 (0.33) CYP2D6CHRM1HRH1KCNH2CYP19A1
SCHEMBL5175641 0.78 CYP2D6 (0.33) CYP2D6CHRM1HRH1KCNH2CYP19A1
SCHEMBL30610260 0.77 CYP2D6 (0.35) CYP2D6PTGS2CHRM1HRH1KCNH2

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-20150190504-A1 WOUND HEALING KINETIC CONCEPTS, INC. 2015-07-09 US disclosed
US-8957076-B2 Wound healing SYSTAGENIX WOUND MANAGEMENT (US), INC. (US) 2015-02-17 US disclosed
US-8063052-B2 Wound healing SYSTAGENIX WOUND MANAGEMENT (US), INC. (US) 2011-11-22 US disclosed
US-20100099622-A1 WOUND HEALING SYSTAGENIX WOUND MANAGEMENT (US), INC. (US) 2010-04-22 US disclosed
US-20090170910-A1 WOUND HEALING KCI USA, INC. 2009-07-02 US disclosed
EP-1786409-A1 WOUND HEALING ETHICON, INC. (US) 2007-05-23 EP disclosed
WO-2006028836-A1 WOUND HEALING ETHICON, INC. (US) 2006-03-16 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 (3 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-20100099622-A1 WOUND HEALING MAPK1, MAPK3, MAPK4 CYP2D6 3746/4885TDP1 2393/4885L3MBTL1 1482/4885
US-20090170910-A1 WOUND HEALING MAPK1, MAPK3, MAPK4 CYP2D6 3746/4885TDP1 2393/4885L3MBTL1 1482/4885
US-20150190504-A1 WOUND HEALING MAPK1, MAPK3, MAPK4 CYP2D6 3746/4885TDP1 2393/4885L3MBTL1 1482/4885

“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.