SCHEMBL1923770

SCHEMBL1923770

CC(C)(C)C(=O)C(CCCCCl)n1cncn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
CYP3A4 P08684 3/20 0.44
KMT2A Q03164 3/20 0.35
HSP90AA1 P07900 3/20 0.35
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
CYP26A1 O43174 6/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
PPARG P37231 1/20 0.31
CYP24A1 Q07973 1/20 0.30

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
SCHEMBL10407564 0.86 MAPT (0.55) MAPTCYP3A4KMT2AHSP90AA1LMNA
SCHEMBL12418531 0.86 MAPT (0.58) MAPTCYP3A4KMT2AHSP90AA1MEN1
SCHEMBL12415427 0.82 MAPT (0.60) MAPTCYP3A4KMT2AHSP90AA1MEN1
SCHEMBL3229143 0.82 MAPT (0.39) MAPTCYP3A4KMT2AHSP90AA1MEN1
SCHEMBL3121057 0.81 MAPT (0.53) MAPTCYP3A4KMT2AHSP90AA1MEN1
SCHEMBL10568398 0.80 MAPT (0.62) MAPTCYP3A4KMT2AMEN1LMNA
SCHEMBL9748570 0.79 MAPT (0.63) MAPTCYP3A4KMT2AHSP90AA1MEN1
SCHEMBL10771521 0.78 MAPT (0.55) MAPTCYP3A4KMT2AHSP90AA1MEN1
SCHEMBL1967437 0.77 MAPT (0.65) MAPTCYP3A4KMT2AHSP90AA1MEN1
SCHEMBL1922846 0.77 CYP3A4 (0.47) MAPTCYP3A4KMT2AHSP90AA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166020-A1 Imidazole and Triazole Compounds, Use Thereof and Agents Containing Said Compounds BASF SE (DE) 2011-07-07 US disclosed
US-20110160056-A1 Triazole compounds, the use thereof and preparations containing these compounds BASF SE (DE) 2011-06-30 US disclosed
EP-2334663-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS BASF SE (DE) 2011-06-22 EP disclosed
EP-2328878-A1 TRIAZOLE COMPOUNDS, THE USE THEREOF AND PREPARATIONS CONTAINING THESE COMPOUNDS BASF SE (DE) 2011-06-08 EP disclosed
WO-2010029000-A1 TRIAZOLE COMPOUNDS, THE USE THEREOF AND PREPARATIONS CONTAINING THESE COMPOUNDS BASF SE (DE) 2010-03-18 WO disclosed
WO-2010028974-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS BASF SE (DE) 2010-03-18 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 (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-20110160056-A1 Triazole compounds, the use thereof and preparations containing these compounds CYP11B2, CYP3A43, CYP3A5 MAPT 1402/4885CYP3A4 10/4885KMT2A 3231/4885
US-20110166020-A1 Imidazole and Triazole Compounds, Use Thereof and Agents Containing Said Compounds COX4I1, NISCH, TPMT MAPT 508/4885CYP3A4 14/4885KMT2A 1376/4885

“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.