SCHEMBL5884035

SCHEMBL5884035

O=C(Nc1ccc(C2CCCCC2)cc1)c1ncccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.56
KDR P35968 1/20 0.54
NAMPT P43490 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
PIM1 P11309 1/20 0.49
CSF1R P07333 1/20 0.47

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
SCHEMBL14113703 0.80 GRM4 (0.62) DEGS1KDRNAMPTHDAC3HDAC11
SCHEMBL13201028 0.77 ATR (0.61) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL5583827 0.77 DEGS1 (0.51) DEGS1NAMPTHDAC3HDAC11HDAC8
SCHEMBL31095926 0.77 NAMPT (0.60) DEGS1KDRNAMPTHDAC3HDAC11
SCHEMBL14284354 0.76 TLR7 (0.67) KDRNAMPTSMN1; SMN2ALDH1A1MAPT
SCHEMBL18027788 0.76 KDM4E (0.73) KDRNAMPTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL18993449 0.76 CSF1R (0.53) ALOX15ALDH1A1PIM1CSF1RRET
Hydrochloric Acid SCHEMBL7691040 0.76 EGLN1 (0.65) DEGS1KDRNAMPTUSP2ALOX15
SCHEMBL13598068 0.76 DEGS1 (0.46) DEGS1KDRNAMPTHDAC3HDAC11
SCHEMBL11614842 0.75 NAMPT (0.77) DEGS1NAMPTHDAC3HDAC11HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486489-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2016-04-27 EP disclosed
EP-1204643-B1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2008-06-04 EP disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-7034035-B2 Fungicidal mono-, bi-, and tri-cycloheteroalkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2006-04-25 US disclosed
US-6927225-B2 Fungicidal 2-pyridyl alkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2005-08-09 US disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
US-20040034025-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2004-02-19 US disclosed
US-6521622-B1 Effective against plant pathogens and wood decaying fungi DOW AGROSCIENCES LLC 2003-02-18 US disclosed
US-20030022902-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-30 US disclosed
US-20030018012-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-23 US disclosed
US-20030018052-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-23 US disclosed
US-20020177578-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2002-11-28 US 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-20030018012-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation CYP4X1, CYP1A1, NAT1 DEGS1 3008/4885KDR 4723/4885NAMPT 1739/4885
US-20020177578-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation CYP4X1, CYP1A1, NAT1 DEGS1 3008/4885KDR 4723/4885NAMPT 1739/4885
US-20040034025-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation AADAC, NAT1, AHR DEGS1 1602/4885KDR 3094/4885NAMPT 496/4885
US-20030018052-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation NAT1, CYP4X1, CYP1A1 DEGS1 3017/4885KDR 4687/4885NAMPT 1621/4885
US-20030022902-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation NAT1, CYP1A1, CYP4X1 DEGS1 2985/4885KDR 4686/4885NAMPT 1784/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 DEGS1 4336/4885KDR 448/4885NAMPT 2246/4885

“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.