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SCHEMBL272573

SCHEMBL272573

Cc1nn(C)cc1C(=O)Nc1ccccc1C(C)CC(C)C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.62
▸ NAMPT P43490 1/20 0.49
▸ GAA P10253 6/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ ALPL P05186 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ EGFR P00533 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDR P35968 1/20 0.38

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
SCHEMBL7790931 0.89 ATM (0.64) ATMNAMPTGAASMN1; SMN2RAB9A
SCHEMBL10238203 0.88 ATM (0.47) ATMNAMPTGAASMN1; SMN2RAB9A
SCHEMBL13304549 0.87 ATM (0.46) ATMGAASMN1; SMN2LMNA
SCHEMBL273097 0.86 ATM (0.60) ATMNAMPTGAASMN1; SMN2RAB9A
SCHEMBL13304626 0.86 ATM (0.46) ATMGAAMAPTPKMLMNA
SCHEMBL3255460 0.85 ATM (0.45) ATMNAMPTGAASMN1; SMN2RAB9A
SCHEMBL3253740 0.85 ATM (0.45) ATMNAMPTGAAALDH1A1MAPT
SCHEMBL273301 0.85 ATM (0.45) ATM
SCHEMBL15132716 0.84 ATM (0.49) ATMNAMPTGAASMN1; SMN2RAB9A
SCHEMBL3177328 0.84 LMNA (0.53) ATMGAANTRK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104170838-A ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG 2014-12-03 — — CN claimed
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 — — US claimed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 — — US claimed
EP-2255651-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP claimed
EP-2255644-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 — — EP claimed
US-20100016339-A1 FUNGICIDAL COMPOUNDS AND COMPOSITIONS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-21 — — US claimed
EP-2132989-A2 Agent combinations Bayer CropScience AG (DE) 2009-12-16 — — EP claimed
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin BAYER CROPSCIENCE AG (DE) 2009-11-19 — — US claimed
US-20090105311-A1 Carboxamides BAYER CROPSCIENCE AG (DE) 2009-04-23 — — US claimed
EP-2046124-A2 FUNGICIDAL COMPOUNDS AND COMPOSITIONS Syngeta Participations AG (CH) 2009-04-15 — — EP claimed
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2008-10-30 — — US claimed
EP-1916894-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE Bayer CropScience Aktiengesellschaft (DE) 2008-05-07 — — EP claimed
EP-1893024-A2 ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2008-03-05 — — EP claimed
WO-2008014955-A2 FUNGICIDAL COMPOUNDS AND COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-07 — — WO claimed
EP-1796468-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS WHICH CONTAIN SPIROXAMINE, A TRIAZOLE AND A CARBOXAMIDE Bayer CropScience AG (DE) 2007-06-20 — — EP claimed
WO-2007031141-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 — — WO claimed
WO-2006131230-A2 ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 — — WO claimed
WO-2006032356-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS WHICH CONTAIN SPIROXAMINE, A TRIAZOLE AND A CARBOXAMIDE BAYER CROPSCIENCE AG (DE) 2006-03-30 — — WO claimed
US-9844220-B2 Synergistic fungicidal active substance combinations FMC CORPORATION (US) 2017-12-19 — — US disclosed
WO-2004103975-A1 IODOPYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-02 — — 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 (6 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-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN ATM 2130/4885NAMPT 1559/4885GAA 17/4885
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations ERG28, MANBA, MAN2A1 ATM 3315/4885NAMPT 279/4885GAA 185/4885
US-20100016339-A1 FUNGICIDAL COMPOUNDS AND COMPOSITIONS CYP4F3, CBR3, CYP4B1 ATM 4740/4885NAMPT 2921/4885GAA 3203/4885
US-20090105311-A1 Carboxamides NAAA, CBR3, CNR1 ATM 3226/4885NAMPT 177/4885GAA 533/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN ATM 2130/4885NAMPT 1559/4885GAA 17/4885
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin MGAM, SUCLG1, MGAM2 ATM 4681/4885NAMPT 287/4885GAA 584/4885

“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.