SCHEMBL353026

SCHEMBL353026

Cc1nc2c(C)c(C)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.51
ADRB2 P07550 1/20 0.45
PARP1 P09874 3/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RPS6KA3 P51812 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
OPRM1 P35372 1/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 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
SCHEMBL13594653 0.84 ADRB2 (0.52) ADRB2PARP1HTTSMN1; SMN2ADORA3
SCHEMBL10584662 0.83 CBFB (0.40) CBFBADRB2PARP1ADAMTS5EGLN1
SCHEMBL13408208 0.79 HTT (0.52) CBFBADRB2PARP1HTTRPS6KA3
SCHEMBL21608573 0.79 LMNA (0.48) CBFBADRB2PARP1HTTNPC1
SCHEMBL5989876 0.79 ADRB2 (0.42) CBFBADRB2PARP1HTTADORA3
SCHEMBL15500371 0.79 ADRB2 (0.42) CBFBADRB2PARP1HTTSMN1; SMN2
SCHEMBL8265272 0.79 HRH4 (0.48) ADRB2PARP1EGLN1HTTRPS6KA3
SCHEMBL21615514 0.79 ADRB2 (0.42) CBFBADRB2PARP1HTTSMN1; SMN2
SCHEMBL6509697 0.79 ADRB2 (0.58) CBFBADRB2PARP1HTTRPS6KA3
SCHEMBL3265280 0.79 HTT (0.47) CBFBADRB2PARP1HTTNPC1

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 158 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200054664-A1 METABOLIC SUPPLEMENT FORMULATION AND METHODS OF USE FOR TREATING DEPRESSION AND ANXIETY HAWKINS GERMAINE BERNARD (US) 2020-02-20 US claimed
EP-2445518-A1 COBALAMIN TAXANE BIOCONJUGATES FOR TREATING EYE DISEASE Osiris Therapeutics, Inc. (US) 2012-05-02 EP claimed
US-20110166097-A1 TAXANE COMPOUNDS FOR TREATING EYE DISEASE OSIRIS THERAPEUTICS, INC. (US) 2011-07-07 US claimed
EP-2320728-A1 TAXANE COMPOUNDS FOR TREATING EYE DISEASE Osiris Therapeutics, Inc. (US) 2011-05-18 EP claimed
WO-2010088287-A1 COBALAMIN TAXANE BIOCONJUGATES FOR TREATING EYE DISEASE GEBHARD JOHN R (US) 2010-08-05 WO claimed
JP-2010509488-A 2010-03-25 JP claimed
WO-2010011662-A1 TAXANE COMPOUNDS FOR TREATING EYE DISEASE INFLABLOC PHARMACEUTICALS, INC. (US) 2010-01-28 WO claimed
US-20100016256-A1 Taxane Compounds for Treating Eye Disease OSIRIS THERAPEUTICS, INC 2010-01-21 US claimed
EP-2139469-A2 COBALAMIN TAXANE BIOCONJUGATES Inflabloc Pharmaceuticals, Inc. (US) 2010-01-06 EP claimed
EP-1978997-A1 TRANSDERMAL DELIVERY OF PHARMACEUTICAL AGENTS Apollo Life Sciences Limited (AU) 2008-10-15 EP claimed
CN-1126441-A Amplification of vitamin B12 absorption System Using polymers BIOTECH AUSTRALIA PTY LTD (AU) 1996-07-10 CN claimed
CN-1126436-A Vitamin B12 mediated oral delivery systems for GCSF and EPO BIOTECH AUSTRALIA PTY LTD (AU) 1996-07-10 CN claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0701448-A1 AMPLIFICATION OF THE VITAMIN B 12? UPTAKE SYSTEM USING POLYMERS BIOTECH AUSTRALIA PTY. LIMITED (AU) 1996-03-20 EP claimed
EP-0700295-A1 VITAMIN B 12? MEDIATED ORAL DELIVERY SYSTEMS FOR GCSF AND EPO BIOTECH AUSTRALIA PTY. LIMITED (AU) 1996-03-13 EP claimed
EP-0673783-A2 Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds XEROX CORPORATION (US) 1995-09-27 EP claimed
US-5449720-A Amplification of the VB12 uptake system using polymers BIOTECH AUSTRALIA PTY LIMITED (AU) 1995-09-12 US claimed
WO-1994027613-A1 VITAMIN B12 MEDIATED ORAL DELIVERY SYSTEMS FOR GCSF AND EPO BIOTECH AUSTRALIA PTY. LIMITED (AU) 1994-12-08 WO claimed
WO-1994027641-A1 AMPLIFICATION OF THE VITAMIN B12 UPTAKE SYSTEM USING POLYMERS BIOTECH AUSTRALIA PTY. LIMITED (AU) 1994-12-08 WO claimed
EP-0428260-A2 Metal surface treatment agents SANWA LABORATORY LTD. (JP) 1991-05-22 EP claimed

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-20100016256-A1 Taxane Compounds for Treating Eye Disease TTR, BTD, MTHFD1 CBFB 4111/4885ADRB2 3704/4885PARP1 438/4885
US-20110166097-A1 TAXANE COMPOUNDS FOR TREATING EYE DISEASE TTR, BTD, MTHFD1 CBFB 4111/4885ADRB2 3704/4885PARP1 438/4885

“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.