SCHEMBL4957997

SCHEMBL4957997

CCN(CC)c1nc(C)c(O)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 1/20 0.43
ALOX15 P16050 3/20 0.39
SLC29A1 Q99808 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.33
HTT P42858 2/20 0.31
GLA P06280 1/20 0.31
CRHR1 P34998 1/20 0.31

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
SCHEMBL28432562 0.80 ALOX15 (0.40) TDP1TSHRALOX15SLC29A1USP2
SCHEMBL28454907 0.77 TDP1 (0.37) TDP1TSHRALOX15SLC29A1USP2
SCHEMBL2741119 0.76 TDP1 (0.64) TDP1TSHRALOX15SLC29A1USP2
SCHEMBL28731915 0.75 TDP1 (0.52) TDP1TSHRALOX15SLC29A1USP2
SCHEMBL4957881 0.74 TDP1 (0.42) TDP1TSHRALOX15SLC29A1USP2
SCHEMBL13983364 0.74 TDP1 (0.47) TDP1TSHRALOX15SLC29A1USP2
SCHEMBL28783855 0.73 MAPT (0.35) TDP1TSHRALOX15SLC29A1MAPT
SCHEMBL2235435 0.72 LMNA (0.53) SMN1; SMN2POLBKDM4EHTT
SCHEMBL14301471 0.72 TSHR (0.54) TDP1TSHRALOX15SLC29A1USP2
SCHEMBL11497850 0.71 ALOX15 (0.44) TDP1TSHRALOX15SLC29A1USP2

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-20080014157-A1 Skin or hair treatment agents with protective effect THE PROCTER & GAMBLE COMPANY (US) 2008-01-17 US disclosed
CN-101048129-A Skin or hair treatment agents comprising 3-pyridinols and /or 5- pyrimidinols WELLA AG (US) 2007-10-03 CN disclosed
EP-1811950-A1 SKIN OR HAIR TREATMENT AGENTS COMPRISING 3-PYRIDINOLS AND /OR 5- PYRIMIDINOLS Wella AG (DE) 2007-08-01 EP disclosed
WO-2006050929-A1 SKIN OR HAIR TREATMENT AGENTS COMPRISING 3-PYRIDINOLS AND /OR 5- PYRIMIDINOLS WELLA AG (DE) 2006-05-18 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 (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-20080014157-A1 Skin or hair treatment agents with protective effect DPM1, CUTA, BHMT2 TDP1 2057/4885TSHR 2314/4885ALOX15 1262/4885

“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.