SCHEMBL4419208

SCHEMBL4419208

NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAP2K4 P45985 1/20 0.45
PARP10 Q53GL7 6/20 0.45
PARP4 Q9UKK3 2/20 0.45
KMT2A Q03164 2/20 0.45
PARP15 Q460N3 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP1 P09874 2/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL28225257 0.90 MAOB (0.47) MAOBCES2CES1MAP2K4PARP10
SCHEMBL21628511 0.89 PARP10 (0.66) MAOBPARP10PARP4KMT2APARP15
SCHEMBL29435945 0.83 MAOB (0.47) MAOBCES2CES1MAP2K4PARP10
SCHEMBL8389000 0.83 ESR1 (0.52) MAOBCES2CES1MAP2K4PARP10
SCHEMBL171651 0.82 CES2 (0.67) MAOBCES2CES1MAP2K4KMT2A
SCHEMBL4867933 0.81 MLYCD (0.54) MAOB
Hydrochloric Acid SCHEMBL8491584 0.80 CES2 (0.64) MAOBCES2CES1MAP2K4KMT2A
Bromide SCHEMBL28812419 0.80 CES2 (0.64) MAOBCES2CES1MAP2K4KMT2A
SCHEMBL5355219 0.80 SRD5A2 (0.61) CES2CES1ALDH1A1TSHRCA2
Water SCHEMBL27804326 0.80 CES2 (0.64) MAOBCES2CES1MAP2K4KMT2A

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-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
US-20040176443-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2004-09-09 US disclosed
US-20040142958-A1 Combination therapy for the treatment of pain NEUROGEN CORPORATION 2004-07-22 US disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 WO disclosed
US-6723730-B2 DIARYL PIPERAZINES AND RELATED COMPOUNDS USEFUL IN THE TREATMENT OF A CHRONIC AND ACUTE PAIN CONDITIONS, ITCH AND URINARY INCONTINENCE. NEUROGEN CORPORATION 2004-04-20 US disclosed
EP-1301484-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-04-16 EP disclosed
US-20020132853-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2002-09-19 US disclosed
WO-2002008221-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-31 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 (4 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-20040176443-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 MAOB 2298/4885CES2 1694/4885CES1 3534/4885
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure TRPV1, TRPA1, TRPV5 MAOB 1324/4885CES2 2004/4885CES1 2842/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 MAOB 1283/4885CES2 549/4885CES1 1028/4885
US-20020132853-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 MAOB 2298/4885CES2 1694/4885CES1 3534/4885

“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.