Sugi Predict

Sugi Predict / Compounds / SCHEMBL1044642

SCHEMBL1044642

SCHEMBL1044642

Cc1nc(C(F)F)c(C(=O)Nc2ccccc2-c2ccc(I)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ TSHR P16473 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 4/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 2/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13064249 0.92 TSHR (0.50) MAPTTSHRHTTHSD17B10USP2
SCHEMBL13210721 0.91 NTRK1 (0.43) MAPTTSHRHTTHSD17B10USP2
SCHEMBL13210713 0.90 MAPT (0.41) MAPTTSHRHTTHSD17B10USP2
SCHEMBL29437136 0.90 MAPT (0.41) MAPTTSHRHTTHSD17B10USP2
SCHEMBL343339 0.90 TDP1 (0.47) MAPTTSHRHTTHSD17B10USP2
SCHEMBL167980 0.90 MAPT (0.41) MAPTTSHRHTTHSD17B10USP2
SCHEMBL121792 0.88 ABCG2 (0.47) MAPTTSHRHTTHSD17B10USP2
SCHEMBL29419103 0.88 ABCG2 (0.47) MAPTTSHRHTTHSD17B10USP2
SCHEMBL20514734 0.88 ALDH1A1 (0.41) MAPTTSHRHTTHSD17B10USP2
SCHEMBL13210812 0.88 MAPT (0.40) MAPTTSHRHTTHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2008-10-30 — — US claimed
US-9414600-B2 Active compound combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-16 — — US disclosed
US-9414600-B2 Active compound combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-16 — — US disclosed
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 — — US disclosed
US-8765636-B2 Synergistic fungicidal active compound combinations containing a carboxamide, an azole, a second azole or a strobilurin BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-01 — — US disclosed
US-8765636-B2 Synergistic fungicidal active compound combinations containing a carboxamide, an azole, a second azole or a strobilurin BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-01 — — US disclosed
US-8754009-B2 Active compound combinations BAYER CROPSCIENCE AG (DE) 2014-06-17 — — US disclosed
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2008-10-30 — — US disclosed
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2008-10-30 — — US disclosed
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 disclosed
EP-1893024-A2 ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2008-03-05 — — EP disclosed
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 disclosed
WO-2006131230-A2 ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 — — 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 (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-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN MAPT 415/4885TSHR 4501/4885HTT 134/4885
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations ERG28, MANBA, MAN2A1 MAPT 2965/4885TSHR 4569/4885HTT 4580/4885
US-20090105311-A1 Carboxamides NAAA, CBR3, CNR1 MAPT 581/4885TSHR 2900/4885HTT 1408/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN MAPT 415/4885TSHR 4501/4885HTT 134/4885
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin MGAM, SUCLG1, MGAM2 MAPT 3620/4885TSHR 4806/4885HTT 4294/4885

“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.