SCHEMBL1412657

SCHEMBL1412657

CCOC(=O)c1nnn(C)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
ALOX12 P18054 1/20 0.43
SLC5A1 P13866 3/20 0.41
SLC5A2 P31639 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP19A1 P11511 2/20 0.39
HPGD P15428 1/20 0.39
HDAC4 P56524 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9915132 0.83 TP53 (0.43) TP53ALOX12SLC5A1SLC5A2MAPT
SCHEMBL23153541 0.83 CYP19A1 (0.44) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL14262388 0.81 SLC5A1 (0.44) TP53ALOX12SLC5A1SLC5A2MAPT
SCHEMBL26817435 0.80 CYP19A1 (0.44) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL29820231 0.80 MAPK1 (0.49) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL26848903 0.80 TSHR (0.42) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL31123993 0.79 TP53 (0.47) TP53ALOX12SLC5A1SLC5A2MAPT
SCHEMBL23153548 0.79 TP53 (0.42) TP53ALOX12SLC5A1SLC5A2MAPT
SCHEMBL1412553 0.78 TP53 (0.56) TP53ALOX12MAPTKMT2AKDM4E
SCHEMBL14511339 0.77 TSHR (0.49) TP53ALOX12SLC5A1SLC5A2MAPT

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
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-10-18 US disclosed
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-10-18 US disclosed
US-8198419-B2 Glycorandomization and production of novel erythromycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-12 US disclosed
US-8198419-B2 Glycorandomization and production of novel erythromycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-12 US disclosed
US-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs THORSON JON 2011-05-26 US disclosed
US-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs THORSON JON 2011-05-26 US disclosed
EP-1991542-B1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LTD (GB) 2011-03-16 EP disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
EP-1991542-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS Syngenta Limited (GB) 2008-11-19 EP disclosed
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-10-30 US disclosed
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-10-30 US disclosed
US-7348309-B2 Glycorandomization and production of novel vancomycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-03-25 US disclosed
US-7348309-B2 Glycorandomization and production of novel vancomycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-03-25 US disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 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 (4 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-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 TP53 2231/4885ALOX12 3402/4885SLC5A1 493/4885
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS CYP4X1, RDX, HAX1 TP53 4420/4885ALOX12 2310/4885SLC5A1 437/4885
US-20120264924-A1 Glycorandomization and Production of Novel Novobiocin Analogs NMT2, NMT1, NAMPT TP53 2075/4885ALOX12 2422/4885SLC5A1 538/4885
US-20080268504-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 TP53 2280/4885ALOX12 3397/4885SLC5A1 362/4885

“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.