SCHEMBL6023569

SCHEMBL6023569

O=C(NC[C@H]1CN(c2ccc(-c3ccc(CNCCCF)cc3)c(F)c2)C(=O)O1)C(Cl)Cl

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.47
MAOA P21397 4/20 0.46
F10 P00742 4/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 2/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
SDHA P31040 1/20 0.43

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
SCHEMBL6023574 1.00 CALML3 (0.47) CALML3MAOAF10CYP3A4CYP2C19
SCHEMBL3173975 0.93 CALML3 (0.48) CALML3MAOAF10CYP3A4CYP2C19
SCHEMBL3173970 0.93 CALML3 (0.48) CALML3MAOAF10CYP3A4CYP2C19
SCHEMBL6024275 0.90 CALML3 (0.49) CALML3MAOAF10MAOBLMNA
SCHEMBL6024277 0.90 CALML3 (0.49) CALML3MAOAF10MAOBLMNA
SCHEMBL3166248 0.90 MAOA (0.58) CALML3MAOAF10MAOBLMNA
SCHEMBL3166255 0.90 MAOA (0.58) CALML3MAOAF10MAOBLMNA
SCHEMBL6024297 0.90 MAOA (0.58) CALML3MAOAF10MAOBLMNA
Hydrochloric Acid SCHEMBL30061895 0.89 MAOA (0.57) CALML3MAOAF10MAOBLMNA
SCHEMBL6023320 0.88 CALML3 (0.50) CALML3MAOAF10CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129259-B2 Halogenated biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2006-10-31 US disclosed
US-20060148869-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same CHEN SHILI 2006-07-06 US disclosed
US-20050153971-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-07-14 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 (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-20050153971-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same PROKR1, PROKR2, PCNA CALML3 4062/4885MAOA 1365/4885F10 3889/4885
US-20060148869-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same PCNA, PROKR1, BCOR CALML3 4101/4885MAOA 1171/4885F10 3904/4885

“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.