SCHEMBL16336161

SCHEMBL16336161

Cn1nc(C(F)F)c(C(=O)N(Cc2cccc3ccccc23)C2CC2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
REN P00797 1/20 0.39
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
C5AR1 P21730 1/20 0.38
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
METAP2 P50579 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRM1 P35372 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
METAP1 P53582 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SLC18A2 Q05940 1/20 0.35

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
SCHEMBL15648591 0.89 RAB9A (0.40) RAB9ATSHROPRM1SMN1; SMN2ALDH1A1
SCHEMBL13723227 0.86 SLC6A2 (0.44) RAB9AKCNH2TSHROPRM1ALDH1A1
SCHEMBL13731461 0.86 SLC6A2 (0.43) RAB9AC5AR1MAPTTSHROPRM1
SCHEMBL29368410 0.86 SLC6A2 (0.43) RAB9AC5AR1MAPTTSHROPRM1
SCHEMBL438859 0.86 OPRM1 (0.40) RAB9AMAPTTSHROPRM1ALDH1A1
SCHEMBL13724272 0.85 SLC6A2 (0.38) RAB9ATSHROPRM1ALDH1A1GPBAR1
SCHEMBL17431025 0.85 AGER (0.46) RAB9AOPRM1SIGMAR1GPBAR1
SCHEMBL15287094 0.85 SLC6A2 (0.40) RAB9AC5AR1TSHROPRM1SMN1; SMN2
SCHEMBL15525130 0.85 RAB9A (0.36) RAB9ARENCYP3A4KCNH2TSHR
SCHEMBL16335462 0.83 RAB9A (0.36) RAB9AC5AR1TSHROPRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105339353-B N- naphthenic base-N- [(fused phenyl) methylene]-(thio) carboxamides derivatives 拜耳作物科学股份公司 2018-08-10 CN disclosed
EP-3013803-B1 N-CYCLOALKYL-N-[(FUSEDPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-05-16 EP disclosed
US-9765049-B2 N-cycloalkyl-N-[(fusedphenyl)methylene]-(thio)carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-09-19 US disclosed
US-20160185747-A1 N-CYCLOALKYL-N-[(FUSEDPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2016-06-30 US disclosed
EP-3013803-A1 N-CYCLOALKYL-N-[(FUSEDPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES Bayer CropScience AG (DE) 2016-05-04 EP disclosed
WO-2014206954-A1 N-CYCLOALKYL-N-[(FUSEDPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-12-31 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 (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-20160185747-A1 N-CYCLOALKYL-N-[(FUSEDPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES CBR3, NANP, TPMT RAB9A 2920/4885REN 1635/4885CYP3A4 62/4885

“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.