SCHEMBL1993655

SCHEMBL1993655

O=C(Cc1ccc(F)cc1)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
LTA4H P09960 1/20 0.58
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
PLOD2 O00469 2/20 0.47
PLOD3 O60568 2/20 0.47
PLOD1 Q02809 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL2645324 0.93 LTA4H (0.58) L3MBTL1LTA4HRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL5253545 0.91 LTA4H (0.56) L3MBTL1LTA4HRAB9AMEN1KMT2A
SCHEMBL6201900 0.86 RAB9A (0.59) L3MBTL1RAB9APLOD2LMNAHTT
SCHEMBL6203734 0.86 ALDH1A1 (0.55) L3MBTL1RAB9AMEN1KMT2APLOD2
SCHEMBL7143886 0.85 RAB9A (0.51) L3MBTL1LTA4HRAB9AKMT2ACYP3A4
SCHEMBL31407154 0.82 L3MBTL1 (0.55) L3MBTL1LTA4HRAB9AMEN1KMT2A
SCHEMBL5921849 0.82 PIK3CA (0.54) L3MBTL1PLOD2PLOD3PLOD1ALDH1A1
SCHEMBL6101952 0.81 RAB9A (0.66) L3MBTL1RAB9AMEN1KMT2APLOD2
SCHEMBL1395223 0.81 RAB9A (0.64) L3MBTL1RAB9AKMT2APLOD2PLOD3
SCHEMBL15022982 0.81 KDM4E (0.58) RAB9AMEN1KMT2APLOD2PLOD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102408413-B Anticoccidial compound, and preparation method and use thereof CHINA ANIMAL HUSBANDRY INDUSTRY CO LTD 2013-08-14 CN claimed
CN-102408413-A Anticoccidial compound and preparation method and application thereof CHINA ANIMAL HUSBANDRY INDUSTRY CO LTD 2012-04-11 CN claimed
EP-2018364-B1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN INC (US) 2013-08-21 EP disclosed
CN-102408413-B Anticoccidial compound, and preparation method and use thereof CHINA ANIMAL HUSBANDRY INDUSTRY CO LTD 2013-08-14 CN disclosed
CN-102408413-A Anticoccidial compound and preparation method and application thereof CHINA ANIMAL HUSBANDRY INDUSTRY CO LTD 2012-04-11 CN disclosed
US-8084395-B2 4-aza indole derivatives and their use as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
EP-2338890-A1 4,7-Diazaindole derivatives and their use as fungicides Bayer CropScience AG (DE) 2011-06-29 EP disclosed
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 US disclosed
US-7709507-B2 Therapeutic fluoroethyl ureas ALLERGAN, INC. (US) 2010-05-04 US disclosed
WO-2010046215-A2 DIAZA-INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-04-29 WO disclosed
EP-2136640-A2 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngeta Participations AG (CH) 2009-12-30 EP disclosed
WO-1998047892-A1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO-MCNEIL CORPORATION, INC. (US) 1998-10-29 WO disclosed
EP-0727998-A4 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0727998-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1996-08-28 EP disclosed
WO-1995013067-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-05-18 WO disclosed
EP-0231622-B1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
EP-0388691-A1 Azole-1-alkanamides as antiarrhytmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4925857-A Pyridinyl-1H-pyrazole-1-alkanamides as antiarrhythmic agents STERLING DRUG INC. (US) 1990-05-15 US disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 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 (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-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES IDO1, INMT, AZI2 L3MBTL1 3820/4885LTA4H 1570/4885RAB9A 1774/4885

“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.