SCHEMBL6944250

SCHEMBL6944250

Fc1nc(Oc2ccc3c(c2)OCO3)c(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
NOS2 P35228 4/20 0.43
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ULK1 O75385 4/20 0.39
AR P10275 1/20 0.37
ALOX15 P16050 1/20 0.37
MAOB P27338 4/20 0.37

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
SCHEMBL6942267 0.77 NOS2 (0.72) LMNAALDH1A1MAPK1NOS2ALOX15
SCHEMBL6947469 0.75 RAB9A (0.50) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL6946624 0.75 NOS2 (0.62) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL6946813 0.74 NPC1 (0.49) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL6941366 0.74 LMNA (0.49) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL8634452 0.72 ALDH1A1 (0.53) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL6165864 0.71 ALDH1A1 (0.78) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL22162810 0.70 MEN1 (0.64) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL6942398 0.69 NOS2 (0.51) SMN1; SMN2LMNARAB9ANPC1TP53
SCHEMBL6946833 0.68 ALDH1A1 (0.47) SMN1; SMN2LMNARAB9ANPC1TP53

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
EP-1268471-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2003-10-15 EP disclosed
US-6525051-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2003-02-25 US disclosed
US-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-24 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-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS3, NOS2 SMN1; SMN2 3678/4885LMNA 2000/4885RAB9A 2017/4885

“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.