SCHEMBL3923733

SCHEMBL3923733

COc1cccc(-c2ncc[nH]2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.46
SMPD3 Q9NY59 1/20 0.46
ADRA1A P35348 3/20 0.44
NISCH Q9Y2I1 2/20 0.42
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
ADRA2A P08913 2/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39

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
SCHEMBL3403152 0.85 ADRA1A (0.54) MC4RSMPD3ADRA1ANISCHCSNK1A1
SCHEMBL29360270 0.85 ADRA1A (0.54) MC4RSMPD3ADRA1ANISCHCSNK1A1
SCHEMBL6003173 0.84 MGAM (0.47) MC4RSMPD3ADRA1ANISCHCSNK1A1
SCHEMBL31429595 0.83 SMPD3 (0.56) MC4RSMPD3ADRA1ANISCHCSNK1A1
SCHEMBL29483242 0.80 NISCH (0.47) MC4RADRA1ANISCHCSNK1A1TYRO3
SCHEMBL2011486 0.80 NISCH (0.47) MC4RADRA1ANISCHCSNK1A1TYRO3
SCHEMBL24026507 0.77 ADRA1A (0.43) MC4RSMPD3ADRA1ANISCHCSNK1A1
SCHEMBL697812 0.77 ADRA2A (0.56) MC4RSMPD3ADRA1AADRA2AADRA2C
Oxalic Acid SCHEMBL31679096 0.77 CSNK1A1 (0.52) SMPD3ADRA1ANISCHCSNK1A1TYRO3
SCHEMBL10937921 0.77 SMN1; SMN2 (0.53) MC4RADRA1ANISCHCSNK1A1TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531162-B2 Transcobalamin receptor binding conjugates useful for treating abnormal cellular proliferation MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2009-05-12 US disclosed
EP-1754712-A2 Transcobalamin binding conjugates useful for treating abnormal cellular proliferation MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-02-21 EP disclosed
US-20060166862-A1 Transcobalamin receptor binding conjugates useful for treating abnormal cellular proliferation REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-07-27 US disclosed
EP-1334114-A2 TRANSCOBALAMIN BINDING CONJUGATES USEFUL FOR TREATING ABNORMAL CELLULAR PROLIFERATION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2003-08-13 EP disclosed
US-20020151525-A1 Transcobalamin receptor binding conjugates useful for treating abnormal cellular proliferation COLLINS DOUGLAS A (US) 2002-10-17 US disclosed
WO-2002055530-A2 TRANSCOBALAMIN BINDING CONJUGATES USEFUL FOR TREATING ABNORMAL CELLULAR PROLIFERATION MAYO FOUNDATION (US) 2002-07-18 WO disclosed
WO-2002042318-A2 TRANSCOBALAMIN RECEPTOR BINDING CONJUGATES FOR NEUTRON CAPTURE THERAPY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2002-05-30 WO disclosed
US-20020049155-A1 Cobalamin compounds useful as cardiovascular agents and as imaging agents HOGENKAMP HENRICUS P C (US) 2002-04-25 US disclosed
US-20020042394-A1 Cobalamin compounds useful as antibiotic agents and as imaging agents HOGENKAMP HENRICUS P C (US) 2002-04-11 US disclosed
WO-2001092288-A2 COBALAMIN COMPOUNDS USEFUL AS ANTIBIOTIC AGENTS AND AS IMAGING AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2001-12-06 WO disclosed
WO-2001092283-A2 COBALAMIN COMPOUNDS USEFUL AS CARDIOVASCULAR AGENTS AND AS IMAGING AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2001-12-06 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 (4 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-20020049155-A1 Cobalamin compounds useful as cardiovascular agents and as imaging agents APOB, MMAB, CBS MC4R 1273/4885SMPD3 699/4885ADRA1A 1404/4885
US-20060166862-A1 Transcobalamin receptor binding conjugates useful for treating abnormal cellular proliferation PCNA, MKI67, SLC19A1 MC4R 3133/4885SMPD3 2316/4885ADRA1A 732/4885
US-20020151525-A1 Transcobalamin receptor binding conjugates useful for treating abnormal cellular proliferation PCNA, MKI67, SLC19A1 MC4R 3133/4885SMPD3 2316/4885ADRA1A 732/4885
US-20020042394-A1 Cobalamin compounds useful as antibiotic agents and as imaging agents MMAB, BLVRB, AHCY MC4R 2025/4885SMPD3 1830/4885ADRA1A 4190/4885

“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.