SCHEMBL16238657

SCHEMBL16238657

NC(=O)c1nc(-c2ccc(F)cc2F)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
AGER Q15109 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALPL P05186 1/20 0.47
SCN9A Q15858 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MPL P40238 2/20 0.46
KMO O15229 2/20 0.46
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
SIRT5 Q9NXA8 1/20 0.44
EIF4E P06730 2/20 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
SCHEMBL25416895 0.87 KMO (0.54) MAPTNPC1RAB9AAGERMEN1
SCHEMBL5999201 0.82 MPL (0.61) MAPTNPC1RAB9AALDH1A1SCN9A
SCHEMBL18215289 0.79 MAPT (0.67) MAPTNPC1RAB9AAGERMEN1
SCHEMBL25415867 0.79 MAPT (0.66) MAPTNPC1RAB9AAGERMEN1
SCHEMBL4640043 0.78 ALOX5 (0.59) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL62517 0.78 MPL (0.67) MAPTNPC1RAB9AAGERMEN1
SCHEMBL30123292 0.78 MPL (0.67) MAPTNPC1RAB9AAGERMEN1
SCHEMBL7436637 0.77 KDM4E (0.63) MAPTMEN1KMT2AALDH1A1SCN9A
SCHEMBL6685526 0.76 TYR (0.64) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL31718136 0.76 TYR (0.64) MAPTRAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MAPT 3944/4885NPC1 1779/4885RAB9A 2445/4885

“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.