SCHEMBL4427665

SCHEMBL4427665

CCCCNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.55
NR1H3 Q13133 9/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
MLYCD O95822 2/20 0.46
RORC P51449 3/20 0.45

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
Hydrochloric Acid SCHEMBL4881350 0.98 NR1H2 (0.54) NR1H2NR1H3SMN1; SMN2MEN1LMNA
SCHEMBL18893587 0.89 NR1H3 (0.56) NR1H2NR1H3SMN1; SMN2MEN1KMT2A
SCHEMBL25686471 0.85 LMNA (0.47) NR1H2NR1H3SMN1; SMN2MEN1LMNA
SCHEMBL2080679 0.84 NR1H3 (0.56) NR1H2NR1H3SMN1; SMN2MLYCDRORC
SCHEMBL8178051 0.82 MEN1 (0.61) SMN1; SMN2MEN1LMNAHTTKMT2A
SCHEMBL181559 0.79 MAPT (0.52) LMNA
SCHEMBL11347496 0.78 HDAC3 (0.51) SMN1; SMN2MEN1LMNAHTTKMT2A
SCHEMBL5953442 0.78 MLYCD (0.50) NR1H2NR1H3SMN1; SMN2MLYCDRORC
SCHEMBL2077709 0.77 SMN1; SMN2 (0.51) NR1H2NR1H3SMN1; SMN2MLYCDRORC
SCHEMBL6236337 0.77 MEN1 (0.55) SMN1; SMN2MEN1LMNAHTTKMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4267920-B2 2009-05-27 JP claimed
JP-2004523542-A 2004-08-05 JP claimed
EP-1377290-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-07 EP claimed
WO-2002064136-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-22 WO claimed
US-20230192622-A1 ANTI-SARS-COV-2 DRUG ONCOLYS BIOPHARMA, INC. (JP) 2023-06-22 US disclosed
US-20230192622-A1 ANTI-SARS-COV-2 DRUG ONCOLYS BIOPHARMA, INC. (JP) 2023-06-22 US disclosed
WO-2021235392-A1 ANTI-SARS-COV-2 DURG オンコリスバイオファーマ株式会社 2021-11-25 WO disclosed
EP-1917233-B1 ANILINOHEXAFLUOROISOPROPANOL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
EP-1917233-B1 ANILINOHEXAFLUOROISOPROPANOL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
US-20080221176-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-11 US disclosed
US-20080221176-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-11 US disclosed
US-20080221176-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-11 US disclosed
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 US disclosed
WO-2007024954-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-01 WO disclosed
WO-2007024954-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-01 WO disclosed
EP-1377290-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2006-10-04 EP disclosed
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-01 US disclosed
EP-1377290-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-07 EP disclosed
WO-2003090732-A1 LXR MODULATORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-06 WO disclosed
WO-2002064136-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-22 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-20230192622-A1 ANTI-SARS-COV-2 DRUG ACE2, ACE, SARS1 NR1H2 278/4885NR1H3 465/4885SMN1; SMN2 4289/4885
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ACACA, ME1 NR1H2 1305/4885NR1H3 1471/4885SMN1; SMN2 2729/4885
US-20080221176-A1 Chemical Compounds NR1H3, NR1H2, NR1H4 NR1H2 2/4885NR1H3 1/4885SMN1; SMN2 4884/4885

“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.