Sugi Predict

Sugi Predict / Compounds / SCHEMBL442079

SCHEMBL442079

SCHEMBL442079

Cc1nn(C)cc1C(=O)Nc1ccsc1C(C)CC(C)C

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.51
▸ NAMPT P43490 1/20 0.45
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ GAA P10253 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ ALPL P05186 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SSTR2 P30874 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
SCHEMBL13851050 0.88 ATM (0.37) ATMNAMPTRAB9ANPC1GAA
SCHEMBL17999731 0.87 ATM (0.49) ATMNAMPTRAB9ANPC1GAA
SCHEMBL3103990 0.86 IRAK4 (0.37) ATMIRAK4
Penthiopyrad SCHEMBL14364842 0.85 LMNA (0.51) GAANTRK1LMNAIRAK4
Penthiopyrad SCHEMBL18701 0.85 LMNA (0.51) GAANTRK1LMNAIRAK4
Penthiopyrad SCHEMBL14364841 0.85 LMNA (0.51) GAANTRK1LMNAIRAK4
SCHEMBL17999737 0.83 ALDH1A1 (0.35) ATMRAB9ANPC1GAAALDH1A1
Penthiopyrad SCHEMBL22556056 0.82 LMNA (0.51) GAANTRK1LMNAIRAK4
SCHEMBL684122 0.81 ATM (0.61) ATMNAMPTRAB9ANPC1GAA
Penthiopyrad SCHEMBL22556057 0.81 LMNA (0.47) GAANTRK1LMNAIRAK4

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208559-A1 PROCESS FOR THE PREPARATION OF 3-HALOALKYLPYRAZOLES Syngental Participations AG (CH) 2018-07-26 — — US disclosed
US-9926279-B2 Process for the preparation of 3-haloalkylpyrazoles SYNGENTA PARTICIPATIONS AG (CH) 2018-03-27 — — US disclosed
US-20180014541-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS ARYSTA LIFESCIENCE CORPORATION (JP) 2018-01-18 — — US disclosed
US-9844220-B2 Synergistic fungicidal active substance combinations FMC CORPORATION (US) 2017-12-19 — — US disclosed
US-9717247-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2017-08-01 — — US disclosed
US-20160244413-A1 PROCESS FOR THE PREPARATION OF 3-HALOALKYLPYRAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2016-08-25 — — US disclosed
US-9414600-B2 Active compound combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-16 — — US disclosed
US-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER IP GMBH (DE) 2016-08-11 — — US disclosed
US-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER IP GMBH (DE) 2016-08-11 — — US disclosed
US-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER IP GMBH (DE) 2016-08-11 — — US disclosed
US-20110263423-A1 Plant Health Composition BASF SE (DE) 2011-10-27 — — US disclosed
US-20110218100-A1 Synergistic Fungicidal Active Compound Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin BAYER CROPSCIENCE AG (DE) 2011-09-08 — — US disclosed
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles BAYER CROPSCIENCE AG (DE) 2011-07-07 — — US disclosed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 — — US disclosed
US-20110105579-A1 Plant Health Composition BASF SE (DE) 2011-05-05 — — US disclosed
US-20080139389-A1 Seed Dressing for Controlling Phytopathogenic Fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-06-12 — — US disclosed
US-20080139389-A1 Seed Dressing for Controlling Phytopathogenic Fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-06-12 — — US disclosed
US-20080139389-A1 Seed Dressing for Controlling Phytopathogenic Fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-06-12 — — US disclosed
EP-1761128-A2 PROTECTANT FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience Aktiengesellschaft (DE) 2007-03-14 — — EP disclosed
WO-2005122770-A2 PROTECTANT FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-12-29 — — 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 (10 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-20110263423-A1 Plant Health Composition PAH, FAAH, CYP1A2 ATM 3796/4885NAMPT 3118/4885RAB9A 2306/4885
US-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN ATM 2130/4885NAMPT 1559/4885RAB9A 2745/4885
US-20180208559-A1 PROCESS FOR THE PREPARATION OF 3-HALOALKYLPYRAZOLES F9, CYP4F3, CYP2C9 ATM 1871/4885NAMPT 4496/4885RAB9A 78/4885
US-20110218100-A1 Synergistic Fungicidal Active Compound Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin SUCLG1, ERG28, ME2 ATM 4643/4885NAMPT 171/4885RAB9A 3789/4885
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles NAT1, ACAT1, CAT ATM 514/4885NAMPT 1227/4885RAB9A 3686/4885
US-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI DPM1, MGAM, SUCLG1 ATM 4765/4885NAMPT 357/4885RAB9A 4800/4885
US-20180014541-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS CYP4X1, ERG28, CASP1 ATM 4033/4885NAMPT 1318/4885RAB9A 3876/4885
US-20080139389-A1 Seed Dressing for Controlling Phytopathogenic Fungi DPM1, MGAM, SUCLG1 ATM 4765/4885NAMPT 357/4885RAB9A 4800/4885
US-20110105579-A1 Plant Health Composition GET3, BROX, ATL3 ATM 3502/4885NAMPT 1610/4885RAB9A 1003/4885
US-20160244413-A1 PROCESS FOR THE PREPARATION OF 3-HALOALKYLPYRAZOLES MGMT, CBR3, CYP4F3 ATM 1311/4885NAMPT 3988/4885RAB9A 2811/4885

“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.