Sugi Predict

Sugi Predict / Compounds / SCHEMBL439358

SCHEMBL439358

SCHEMBL439358

Cc1nn(C)c(F)c1C(=O)N(Cc1ccccc1I)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 2/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ OPRM1 P35372 3/20 0.37
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ AGER Q15109 2/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL1547672 0.87 GPBAR1 (0.43) GPBAR1RAB9ATSHRMEN1KMT2A
SCHEMBL12710361 0.86 GPBAR1 (0.40) GPBAR1RAB9ATSHRMEN1KMT2A
SCHEMBL12710329 0.86 GPBAR1 (0.40) GPBAR1RAB9ATSHRMEN1KMT2A
SCHEMBL12710332 0.85 SLC6A2 (0.45) GPBAR1RAB9ATSHRMEN1KMT2A
SCHEMBL16335775 0.85 TSHR (0.40) GPBAR1RAB9ATSHRMEN1KMT2A
SCHEMBL12710331 0.84 MEN1 (0.44) GPBAR1RAB9ATSHRMEN1KMT2A
SCHEMBL16335564 0.84 TSHR (0.39) GPBAR1RAB9ATSHRMEN1KMT2A
SCHEMBL15525012 0.83 OPRM1 (0.40) GPBAR1RAB9ATSHRMEN1KMT2A
SCHEMBL12710330 0.81 MEN1 (0.46) GPBAR1RAB9ATSHRMEN1KMT2A
SCHEMBL16335828 0.81 GPBAR1 (0.40) GPBAR1RAB9ATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013802-B1 N-CYCLOALKYL-N-[(BICYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-14 — — EP disclosed
EP-3000809-B1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER IP GMBH (DE) 2018-10-31 — — EP disclosed
US-9770022-B2 N-cycloalkyl-N-[(bicyclylphenyl)methylene]-(thio)carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-09-26 — — US disclosed
US-9695126-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-04 — — US disclosed
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 — — US disclosed
US-9398767-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-26 — — US disclosed
US-20160150777-A1 N-CYCLOALKYL-N-[(BICYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2016-06-02 — — US disclosed
EP-3013802-A1 N-CYCLOALKYL-N-[(BICYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2016-05-04 — — EP disclosed
EP-3000809-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES Bayer Intellectual Property GmbH (DE) 2016-03-30 — — EP disclosed
EP-2430000-B1 Fungicide pyrazole carboxamide derivates BAYER IP GMBH (DE) 2015-11-04 — — EP disclosed
WO-2014206953-A1 N-CYCLOALKYL-N-[(BICYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-12-31 — — WO disclosed
US-8772266-B2 Fungicide pyrazole carboxamides derivates BAYER CROPSCIENCE AG (DE) 2014-07-08 — — US disclosed
US-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AG 2014-05-29 — — US disclosed
CN-102421757-A Fungicide pyrazole carboxamide derivatives BAYER CROPSCIENCE AG 2012-04-18 — — CN disclosed
EP-2430000-A2 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2012-03-21 — — EP disclosed
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2012-03-15 — — US disclosed
US-20110082036-A1 Active Compound Combinations Comprising Arylamidines and N-Cycloalkylamides BAYER CROPSCIENCE AG (DE) 2011-04-07 — — US disclosed
US-20110082036-A1 Active Compound Combinations Comprising Arylamidines and N-Cycloalkylamides BAYER CROPSCIENCE AG (DE) 2011-04-07 — — US disclosed
WO-2010130767-A2 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-18 — — WO disclosed
EP-2251331-A1 Fungicide pyrazole carboxamides derivatives Bayer CropScience AG (DE) 2010-11-17 — — EP 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 (5 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-20160150777-A1 N-CYCLOALKYL-N-[(BICYCLYLPHENYL)METHYLENE]-(THIO)CARBOXAMIDE DERIVATIVES CBR3, CYCS, CBR1 GPBAR1 4594/4885RAB9A 3387/4885TSHR 3535/4885
US-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 GPBAR1 4515/4885RAB9A 3110/4885TSHR 1515/4885
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 GPBAR1 4515/4885RAB9A 3110/4885TSHR 1515/4885
US-20110082036-A1 Active Compound Combinations Comprising Arylamidines and N-Cycloalkylamides NAT1, NACA, AADAC GPBAR1 4255/4885RAB9A 3985/4885TSHR 4711/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 GPBAR1 4675/4885RAB9A 3223/4885TSHR 1514/4885

“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.