SCHEMBL761630

SCHEMBL761630

CCN(CC)c1nc(N(CC)CC)nc(N(CC)CO)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 1/20 0.52
SLC29A1 Q99808 2/20 0.45
ALOX15 P16050 3/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL18055624 0.95 TDP1 (0.46) TDP1TSHRSLC29A1ALOX15USP2
SCHEMBL2741119 0.86 TDP1 (0.64) TDP1TSHRSLC29A1ALOX15USP2
Methyl Alcohol SCHEMBL7196036 0.80 SLC29A1 (0.37) TDP1TSHRSLC29A1ALOX15USP2
SCHEMBL11766019 0.80 SLC29A1 (0.68) TDP1TSHRSLC29A1ALOX15USP2
SCHEMBL25245 0.80 SLC29A1 (0.34) TDP1TSHRSLC29A1MAPTSMN1; SMN2
SCHEMBL1872550 0.79 TDP1 (0.52) TDP1TSHRSLC29A1ALOX15USP2
SCHEMBL28294136 0.79 TDP1 (0.52) TDP1TSHRSLC29A1ALOX15USP2
Water SCHEMBL5536541 0.77 TSHR (0.37) TDP1TSHRSLC29A1MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL9875109 0.77 SLC29A1 (0.33) TDP1TSHRSLC29A1MAPTSMN1; SMN2
SCHEMBL12169523 0.77 SLC29A1 (0.64) TDP1TSHRSLC29A1ALOX15USP2

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-8361301-B2 Electrocoating composition comprising a crater control additive PPG INDUSTRIES OHIO, INC. (US) 2013-01-29 US disclosed
US-8137452-B2 Easy-to-clean, mechanically stable coating composition for metallic surfaces and process for coating a substrate using said composition MASCO CORPORATION (US) 2012-03-20 US disclosed
US-20100243455-A1 ELECTROCOATING COMPOSITION COMPRISING A CRATER CONTROL ADDITIVE PPG INDUSTRIES OHIO, INC. 2010-09-30 US disclosed
US-20090181175-A1 EASY-TO-CLEAN, MECHANICALLY STABLE COATING COMPOSITION FOR METALLIC SURFACES AND PROCESS FOR COATING A SUBSTRATE USING SAID COMPOSITION FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCUNG E.V. (DE) 2009-07-16 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 (1 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-20100243455-A1 ELECTROCOATING COMPOSITION COMPRISING A CRATER CONTROL ADDITIVE TET2, TET3, TET1 TDP1 1521/4885TSHR 4652/4885SLC29A1 4596/4885

“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.