SCHEMBL17385136

SCHEMBL17385136

CCOC(=O)/C(=C\C=C\N(CC)CC)C(=O)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.41
NPSR1 Q6W5P4 4/20 0.38
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL17374838 1.00 GLO1 (0.41) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL19240026 0.86 GLO1 (0.50) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL18936293 0.81 NPSR1 (0.42) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL18936291 0.81 NPSR1 (0.42) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL16692406 0.76 NPSR1 (0.48) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL364547 0.74 NPSR1 (0.47) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL364548 0.74 NPSR1 (0.47) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL12294394 0.73 GLO1 (0.38) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL962610 0.73 CYP2C9 (0.47) GLO1NPSR1ALDH1A1GAACYP2D6
SCHEMBL12081760 0.73 CYP2C9 (0.47) GLO1NPSR1ALDH1A1GAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10349656-B2 Difluoromethyl-nicotinic-indanyl carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-16 US disclosed
EP-3160941-B1 DIFLUOROMETHYL-NICOTINIC-INDANYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2019-01-16 EP disclosed
US-20170150717-A1 Difluoromethyl-nicotinic-indanyl carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-01 US disclosed
US-20170150717-A1 Difluoromethyl-nicotinic-indanyl carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-01 US disclosed
WO-2015197530-A2 DIFLUOROMETHYL-NICOTINIC-INDANYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2015-12-30 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 (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-20170150717-A1 Difluoromethyl-nicotinic-indanyl carboxamides NNMT, NAPRT, NAMPT GLO1 651/4885NPSR1 4192/4885ALDH1A1 2673/4885
US-10349656-B2 Difluoromethyl-nicotinic-indanyl carboxamides NNMT, NAPRT, NAMPT GLO1 651/4885NPSR1 4192/4885ALDH1A1 2673/4885

“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.