SCHEMBL6307030

SCHEMBL6307030

CC(C)[Si](Oc1ccc(C(=O)Cl)cc1)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ELANE P08246 2/20 0.38
PARP10 Q53GL7 2/20 0.38
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.35
RAB9A P51151 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
MAPK1 P28482 1/20 0.34
ACHE P22303 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP4 Q9UKK3 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2099655 0.83 MAPT (0.55) KMT2AHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL2163425 0.83 KMT2A (0.58) KMT2APARP10HPGDALDH1A1SMN1; SMN2
SCHEMBL18985150 0.80 CA1 (0.58) KMT2AALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL2099154 0.79 ABCB1 (0.48) KMT2AHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL17070018 0.79 ELANE (0.58) ELANEHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL19886788 0.79 LMNA (0.55) KMT2AELANEALDH1A1SMN1; SMN2MAPT
SCHEMBL2099038 0.79 ALDH1A1 (0.42) KMT2AELANEPARP10HPGDALDH1A1
SCHEMBL6793622 0.79 ALDH1A1 (0.39) KMT2AELANEPARP10HPGDALDH1A1
SCHEMBL2099644 0.77 GSK3B (0.59)
SCHEMBL29676430 0.77 ALDH5A1 (0.47) KMT2APARP10HPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080090-A1 Naphthalene derivatives CHENARD BERTRAND L (US) 2005-04-14 US disclosed
US-20020058811-A1 Naphthalene derivatives CHENARD BERTRAND L (US) 2002-05-16 US disclosed
US-20010004669-A1 Pyrazinyl-substituted naphthalene derivatives CHENARD BERTRAND L (US) 2001-06-21 US disclosed
EP-0689536-B1 NAPHTHALENE DERIVATIVES PFIZER (US) 2001-05-23 EP disclosed
EP-0701819-B1 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER (US) 2000-08-16 EP disclosed
US-5597826-A Compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1997-01-28 US disclosed
EP-0701819-A2 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1996-03-20 EP disclosed
EP-0689536-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-03 EP disclosed
WO-1994021619-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1994-09-29 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 (3 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-20010004669-A1 Pyrazinyl-substituted naphthalene derivatives HTR4, HCRTR2, CNR2 KMT2A 2512/4885ELANE 4124/4885PARP10 2904/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 KMT2A 3180/4885ELANE 2178/4885PARP10 2221/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 KMT2A 2326/4885ELANE 2603/4885PARP10 3044/4885

“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.