SCHEMBL3873841

SCHEMBL3873841

COc1ccc(COc2cccc(F)c2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.51
HPD P32754 4/20 0.47
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAOB P27338 2/20 0.46
ABCB1 P08183 2/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
HPGD P15428 1/20 0.43
PTGES O14684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL30449234 1.00 CYP19A1 (0.51) CYP19A1HPDTLR4TLR2NPC1
SCHEMBL29617906 0.85 HPD (0.52) CYP19A1HPDNPC1KMT2AHTR1A
SCHEMBL2892659 0.85 HPD (0.52) CYP19A1HPDNPC1KMT2AHTR1A
SCHEMBL3874113 0.85 CYP19A1 (0.50) CYP19A1HPDTLR4TLR2NPC1
SCHEMBL11746120 0.84 CYP19A1 (0.48) CYP19A1HPDTLR4TLR2NPC1
SCHEMBL20876320 0.82 NPC1 (0.54) CYP19A1TLR4TLR2NPC1RAB9A
SCHEMBL21179113 0.81 CYP19A1 (0.54) CYP19A1TLR4TLR2NPC1RAB9A
SCHEMBL13424799 0.81 CYP19A1 (0.53) CYP19A1HPDTLR4TLR2NPC1
SCHEMBL30297160 0.80 TDP1 (0.53) KMT2ASMN1; SMN2HPGDTDP1
SCHEMBL6117 0.80 TDP1 (0.53) KMT2ASMN1; SMN2HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332948-A Nitrogen-containing tetracyclic compound, preparation method and medicinal application thereof 翰森生物有限责任公司 2023-06-27 CN disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
EP-1720868-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2006-11-15 EP disclosed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 US 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-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 CYP19A1 3449/4885HPD 1864/4885TLR4 155/4885

“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.